data_2l63_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 2l63 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.8 p90 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -53.83 -41.55 67.52 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.311 1.414 . . . . 0.0 110.371 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -40.03 74.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.496 1.043 . . . . 0.0 110.423 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.45 -0.05 4.54 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.651 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -42.39 86.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.083 2.22 . . . . 0.0 109.716 175.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -79.87 4.64 16.03 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.443 -1.265 . . . . 0.0 113.405 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -55.21 -28.11 50.78 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.345 1.884 . . . . 0.0 110.295 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mm -44.68 -50.09 2.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-N 119.493 1.042 . . . . 0.0 108.777 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.55 -35.18 72.97 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.508 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -48.43 -40.91 27.74 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 120.196 1.362 . . . . 0.0 112.003 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -62.74 -70.2 0.22 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.882 1.219 . . . . 0.0 109.294 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.33 63.39 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.97 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.74 67.8 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.102 0.864 . . . . 0.0 110.178 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.94 48.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.206 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -79.75 -35.85 38.14 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.308 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.59 -39.77 61.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.999 1.272 . . . . 0.0 109.327 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -57.61 3.75 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.756 0.707 . . . . 0.0 109.816 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.32 -47.02 58.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 121.068 -1.02 . . . . 0.0 109.275 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.06 -29.8 64.5 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.371 -1.299 . . . . 0.0 111.227 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -49.66 10.01 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.256 1.389 . . . . 0.0 109.481 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.2 mt -48.49 -48.82 37.76 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.908 0.755 . . . . 0.0 109.422 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -51.16 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.431 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -85.18 42.79 0.96 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.556 1.071 . . . . 0.0 112.9 -173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -102.04 -61.47 1.38 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.095 0.861 . . . . 0.0 109.25 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -80.0 -44.74 19.65 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.271 0.941 . . . . 0.0 109.262 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -63.46 -49.78 81.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.029 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 m -99.73 -51.4 3.75 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.444 1.475 . . . . 0.0 110.838 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.356 0.857 0 CA-C-O 121.841 0.829 . . . . 0.0 108.984 -177.472 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 117.544 -1.217 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 m -52.42 -40.7 62.49 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.609 1.549 . . . . 0.0 109.092 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.26 -44.4 95.33 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.724 1.147 . . . . 0.0 109.528 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.772 -1.585 . . . . 0.0 113.464 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -52.72 -34.11 51.0 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 122.949 2.613 . . . . 0.0 110.47 175.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -90.52 5.34 48.16 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 118.2 -0.905 . . . . 0.0 112.812 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -57.92 -26.05 61.7 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.189 1.359 . . . . 0.0 111.052 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -44.53 -48.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.483 1.038 . . . . 0.0 109.1 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.47 -28.4 59.22 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.401 -1.285 . . . . 0.0 111.724 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -49.23 -44.05 43.11 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.946 1.703 . . . . 0.0 112.642 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.33 -38.73 69.12 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.506 1.048 . . . . 0.0 109.676 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.97 -51.36 12.56 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.34 68.54 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.934 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.77 -49.78 37.05 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.002 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.44 -25.88 38.7 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.034 -1.46 . . . . 0.0 111.267 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.87 -51.24 58.14 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.652 2.023 . . . . 0.0 109.623 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.82 -42.7 60.51 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.827 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -41.63 81.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.443 1.02 . . . . 0.0 109.224 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.63 -2.4 50.09 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 116.889 -1.529 . . . . 0.0 112.418 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.99 36.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 121.833 2.106 . . . . 0.0 108.965 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.68 -45.52 48.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.51 0.595 . . . . 0.0 110.639 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.77 -36.04 73.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.451 -1.261 . . . . 0.0 110.763 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -95.16 32.41 1.72 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.232 1.378 . . . . 0.0 111.626 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.2 m -67.59 -57.53 6.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.469 1.486 . . . . 0.0 108.783 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -40.01 79.27 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -174.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 tt -80.23 -41.82 21.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.429 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 m -97.26 -66.22 0.92 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.873 1.215 . . . . 0.0 109.038 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 119.148 0.885 . . . . 0.0 109.994 -178.184 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -52.96 -32.25 44.98 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.296 1.407 . . . . 0.0 110.898 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.9 -44.78 60.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.9 1.227 . . . . 0.0 108.373 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -66.1 -8.19 22.15 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.44 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -55.28 -42.29 73.4 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.739 2.063 . . . . 0.0 110.751 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.7 -0.93 25.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.304 -1.331 . . . . 0.0 113.948 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.3 m -50.03 -29.0 7.86 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 121.583 1.992 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mm -43.56 -51.76 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.636 1.107 . . . . 0.0 109.287 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.45 -35.27 75.5 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 110.32 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -47.82 -40.05 20.04 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.158 1.344 . . . . 0.0 111.825 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -70.03 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.165 1.348 . . . . 0.0 109.566 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.66 -34.01 66.91 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.912 0.778 . . . . 0.0 111.756 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.71 75.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.783 0.72 . . . . 0.0 109.884 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.88 56.33 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.193 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -80.8 -30.52 35.9 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.832 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -50.24 -50.11 50.93 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.759 1.618 . . . . 0.0 109.44 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.33 -43.18 57.75 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 119.459 -0.896 . . . . 0.0 109.626 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -39.28 63.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 119.567 1.076 . . . . 0.0 109.516 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.255 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -44.55 15.54 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 121.264 1.847 . . . . 0.0 109.002 171.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -48.72 -45.77 39.85 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.542 0.61 . . . . 0.0 110.122 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 pp -61.01 -36.67 73.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.182 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -96.19 30.48 2.46 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.777 1.171 . . . . 0.0 111.724 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -64.46 -51.65 62.0 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.574 1.534 . . . . 0.0 109.201 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -60.25 3.17 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.412 1.46 . . . . 0.0 110.243 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tp -54.18 -38.95 40.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-O 117.152 -1.404 . . . . 0.0 111.713 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.7 m -104.32 -59.44 1.73 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.145 1.339 . . . . 0.0 110.463 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.833 0 CA-C-N 119.029 0.831 . . . . 0.0 109.584 179.098 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -43.89 -46.41 7.99 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 118.942 0.792 . . . . 0.0 112.191 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -62.55 -49.35 75.66 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.698 1.135 . . . . 0.0 109.205 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -72.28 -0.68 12.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.51 90.16 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.545 1.975 . . . . 0.0 107.339 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -75.94 2.67 11.94 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.926 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 m -54.47 -28.86 47.44 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.146 1.793 . . . . 0.0 111.143 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 mm -42.61 -48.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 119.364 0.984 . . . . 0.0 109.397 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -74.67 -30.11 61.47 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.403 -1.284 . . . . 0.0 111.67 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -47.23 -45.11 23.21 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.375 1.443 . . . . 0.0 112.558 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.55 -41.28 69.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.191 0.905 . . . . 0.0 109.333 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.46 -51.79 15.94 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.91 68.77 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.165 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.28 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.351 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -27.95 35.61 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.105 -1.426 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -50.64 -50.34 54.73 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.117 1.78 . . . . 0.0 109.698 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -73.79 -41.73 61.98 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.812 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -43.75 84.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 119.437 1.017 . . . . 0.0 109.448 -176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -83.6 3.51 32.38 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.877 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -44.61 20.42 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.698 2.044 . . . . 0.0 108.427 168.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -46.19 -45.5 16.88 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.524 0.602 . . . . 0.0 110.42 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.55 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.415 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -96.62 35.49 1.5 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 120.663 1.574 . . . . 0.0 111.829 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.5 m -71.12 -53.2 15.42 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.278 1.399 . . . . 0.0 109.106 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -66.95 -48.72 67.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.569 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tp -65.67 -43.22 93.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.149 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.5 m -107.13 -57.39 2.08 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.17 1.35 . . . . 0.0 110.55 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.355 0.817 0 CA-C-N 118.99 0.814 . . . . 0.0 108.946 -179.009 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 p90 . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.3 m -54.49 -34.01 60.84 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.579 1.536 . . . . 0.0 110.237 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.4 -44.38 84.48 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.184 1.357 . . . . 0.0 109.454 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.71 -3.4 9.12 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.446 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.79 56.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.836 2.107 . . . . 0.0 109.675 174.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -83.22 8.88 11.98 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.583 -1.198 . . . . 0.0 113.907 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.2 m -58.77 -27.7 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.875 1.67 . . . . 0.0 110.516 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -43.93 -49.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.457 1.026 . . . . 0.0 108.974 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.79 -39.71 84.02 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.77 -40.33 13.38 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.003 1.274 . . . . 0.0 113.16 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.89 -70.8 0.2 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.035 1.289 . . . . 0.0 109.12 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.09 -32.66 62.16 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.876 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -39.48 73.27 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.675 0.671 . . . . 0.0 110.514 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.321 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -76.21 -31.78 58.61 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.004 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -49.87 -42.33 47.43 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.119 1.327 . . . . 0.0 109.713 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.58 -52.89 5.51 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.678 0.672 . . . . 0.0 110.566 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.85 -46.32 75.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.743 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.51 3.27 25.46 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.506 -1.712 . . . . 0.0 112.479 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -44.24 12.95 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.972 1.715 . . . . 0.0 109.591 170.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -45.02 -44.51 10.09 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.727 0.694 . . . . 0.0 110.119 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -66.33 -34.64 71.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 117.152 -1.404 . . . . 0.0 112.357 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.17 37.99 1.86 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 120.48 1.491 . . . . 0.0 111.225 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -79.99 -59.11 2.85 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.461 1.028 . . . . 0.0 109.035 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.43 -23.14 43.38 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.381 -1.295 . . . . 0.0 111.482 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -56.81 -41.66 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 121.179 1.808 . . . . 0.0 109.681 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.1 m -102.76 -54.3 2.67 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.73 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.142 0.883 . . . . 0.0 109.963 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -55.08 -37.66 67.08 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.715 1.143 . . . . 0.0 109.729 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.41 -39.97 89.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.26 1.391 . . . . 0.0 109.802 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.92 -5.53 9.59 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.082 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.64 -37.41 40.52 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 121.764 2.075 . . . . 0.0 110.261 172.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -80.85 -1.19 42.22 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.564 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -55.4 -27.51 48.17 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.686 1.585 . . . . 0.0 112.051 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.8 mm -44.29 -48.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.767 1.167 . . . . 0.0 108.881 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.83 -38.95 80.19 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.726 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -47.35 -39.35 14.8 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.159 1.345 . . . . 0.0 113.138 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.59 -70.31 0.23 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.212 1.369 . . . . 0.0 109.107 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.69 63.7 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.729 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.49 70.79 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.613 0.642 . . . . 0.0 110.554 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.92 60.55 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -75.79 -33.27 60.14 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.379 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -47.33 -41.46 19.41 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 120.424 1.465 . . . . 0.0 109.732 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -86.7 -56.22 3.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.483 0.583 . . . . 0.0 110.317 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -52.47 -48.62 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.632 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -35.8 80.7 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.756 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -47.29 66.59 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.365 0.984 . . . . 0.0 112.225 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -49.24 -33.86 13.67 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.26 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.86 -49.51 34.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.49 37.81 0.41 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -101.72 -47.19 4.7 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.527 1.058 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 34.87 3.02 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.361 0.528 . . . . 0.0 110.281 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -151.36 -54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.623 -1.179 . . . . 0.0 109.296 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -88.02 -50.97 6.06 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 120.794 1.634 . . . . 0.0 109.687 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 t0 . . . . . 0 C--N 1.357 0.919 0 CA-C-N 118.961 0.801 . . . . 0.0 110.143 -173.398 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.925 -1.035 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -89.02 -53.06 4.76 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.47 -37.01 79.63 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.652 1.114 . . . . 0.0 109.988 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 -10.34 59.66 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.208 -1.377 . . . . 0.0 112.384 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -33.94 65.39 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.473 1.942 . . . . 0.0 110.446 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.04 6.84 30.46 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.408 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -60.42 -23.54 64.47 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.025 1.284 . . . . 0.0 110.691 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mm -48.05 -55.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.787 1.176 . . . . 0.0 108.753 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.8 -26.14 65.93 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.835 -1.078 . . . . 0.0 111.624 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -55.4 -38.64 69.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.245 1.384 . . . . 0.0 111.097 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.12 -67.16 0.45 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.526 1.057 . . . . 0.0 108.951 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.55 -32.81 67.49 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.635 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -43.38 65.88 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.143 0.883 . . . . 0.0 109.926 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.84 -48.11 51.2 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.766 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -77.78 -34.74 52.11 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.437 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.34 -40.28 58.79 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.256 1.389 . . . . 0.0 109.172 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -50.88 24.56 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.313 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 mm -59.93 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 119.648 1.113 . . . . 0.0 109.821 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.04 5.21 8.5 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 116.545 -1.693 . . . . 0.0 113.338 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -46.66 14.23 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 122.292 2.315 . . . . 0.0 108.878 170.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.48 -44.81 17.88 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 118.455 0.57 . . . . 0.0 110.423 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.26 -37.15 79.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.257 -1.354 . . . . 0.0 111.517 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.77 41.08 1.12 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.46 1.482 . . . . 0.0 111.483 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -76.34 -62.01 1.76 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.599 1.091 . . . . 0.0 108.125 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -38.05 46.34 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.785 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tt -85.27 -42.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.7 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -100.43 -69.71 0.76 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 120.069 1.304 . . . . 0.0 108.604 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.886 1.221 . . . . 0.0 110.7 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -90.1 -54.11 4.17 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -58.52 -42.03 86.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.779 1.172 . . . . 0.0 109.793 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.11 -4.23 49.27 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 116.91 -1.519 . . . . 0.0 113.568 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -33.76 66.6 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 121.827 2.103 . . . . 0.0 109.654 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -86.63 -0.46 56.25 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.714 -1.136 . . . . 0.0 112.867 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 m -54.19 -27.65 35.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.275 1.398 . . . . 0.0 111.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 mm -43.72 -50.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 119.379 0.991 . . . . 0.0 109.11 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.22 -39.12 82.44 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.085 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.85 -38.32 10.15 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.854 1.207 . . . . 0.0 113.112 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.08 -71.95 0.17 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.234 1.379 . . . . 0.0 109.19 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.64 -34.22 57.83 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.84 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.42 78.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.704 0.684 . . . . 0.0 109.741 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.7 63.52 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.243 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -32.78 63.16 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.158 -1.401 . . . . 0.0 110.683 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -49.67 -49.74 46.3 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.9 1.682 . . . . 0.0 109.701 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -74.77 -44.04 51.71 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.488 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -43.98 63.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.316 0.962 . . . . 0.0 109.503 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.14 -10.35 59.59 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.918 -1.515 . . . . 0.0 113.013 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.82 63.43 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 122.198 2.272 . . . . 0.0 110.293 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.07 -45.73 79.24 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.944 1.247 . . . . 0.0 109.848 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.8 pt -60.12 -29.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.222 -1.37 . . . . 0.0 110.955 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.9 34.78 1.07 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.687 1.585 . . . . 0.0 111.447 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.7 m -75.15 -55.93 5.24 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.873 1.215 . . . . 0.0 108.034 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -39.62 68.8 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.828 0.74 . . . . 0.0 112.183 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 tt -82.65 -43.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.78 -172.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.6 m -100.62 -56.99 2.2 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.919 1.236 . . . . 0.0 109.182 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.354 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.5 p90 . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.1 m -57.68 -36.63 72.19 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.662 1.574 . . . . 0.0 109.774 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.58 -39.17 87.08 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.468 1.486 . . . . 0.0 109.793 173.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.66 -6.09 14.18 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.2 -1.381 . . . . 0.0 112.489 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -34.07 54.91 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.847 2.112 . . . . 0.0 111.04 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.54 8.33 25.52 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.072 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -61.48 -22.27 64.94 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.186 1.357 . . . . 0.0 110.645 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -47.64 -55.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 119.937 1.244 . . . . 0.0 108.915 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.66 -28.34 66.79 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.16 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.2 -40.59 74.24 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.375 1.443 . . . . 0.0 111.956 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.56 -37.9 71.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.341 0.973 . . . . 0.0 109.372 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.02 -52.03 10.06 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.02 68.69 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.986 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -48.47 33.68 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.357 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -30.86 41.21 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.32 -1.324 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.88 -49.63 38.78 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.625 1.557 . . . . 0.0 109.59 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.22 -46.04 52.58 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.142 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -45.52 53.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 119.133 0.879 . . . . 0.0 109.837 -173.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.65 -34.23 64.86 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.035 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 -44.81 10.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.143 1.338 . . . . 0.0 110.741 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.0 mt -51.71 -46.75 64.03 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.266 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.69 -52.42 61.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-O 117.749 -1.12 . . . . 0.0 109.328 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -78.43 55.32 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.97 1.259 . . . . 0.0 111.726 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 m -120.37 -62.92 1.41 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.055 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -78.78 -45.96 19.88 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.255 0.934 . . . . 0.0 108.656 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.2 tt -63.84 -46.58 93.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.989 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 m -90.98 -53.1 4.53 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.914 1.234 . . . . 0.0 110.278 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.355 0.834 0 CA-C-N 118.753 0.706 . . . . 0.0 111.196 -178.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -45.13 43.71 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.994 1.27 . . . . 0.0 109.142 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.35 -43.54 85.76 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.858 -1.067 . . . . 0.0 111.128 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.64 -9.12 5.42 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.33 1.423 . . . . 0.0 112.66 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 99.5 mmm -55.42 -33.75 63.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 122.203 2.274 . . . . 0.0 110.106 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -89.55 23.02 2.75 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.955 1.252 . . . . 0.0 112.621 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -73.34 -20.02 60.88 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.37 1.441 . . . . 0.0 110.048 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -50.69 -55.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.965 1.257 . . . . 0.0 108.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.62 -30.77 69.57 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.297 -1.335 . . . . 0.0 110.563 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.36 -40.9 62.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.552 1.523 . . . . 0.0 110.974 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -53.84 -40.19 66.23 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.738 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.84 -48.64 20.72 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 -36.4 68.18 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.137 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.95 16.82 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.53 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -30.39 30.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 116.813 -1.565 . . . . 0.0 111.07 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -48.89 -49.03 41.72 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 121.447 1.931 . . . . 0.0 109.789 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -75.17 -42.44 55.9 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.744 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -44.57 85.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 119.849 1.204 . . . . 0.0 109.462 -176.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -81.54 3.55 24.56 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 116.407 -1.759 . . . . 0.0 112.717 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -43.69 17.92 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 122.437 2.381 . . . . 0.0 108.853 170.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -45.63 -44.92 13.58 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.654 0.661 . . . . 0.0 110.189 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.66 -35.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.054 -1.45 . . . . 0.0 111.984 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -103.22 41.42 1.26 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.697 1.589 . . . . 0.0 111.337 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.1 m -82.32 -58.61 2.86 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.219 0.918 . . . . 0.0 108.705 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.12 -29.61 57.91 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.658 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 tp -55.11 -36.79 40.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.188 1.358 . . . . 0.0 110.884 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.7 m -120.71 -56.92 1.93 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.698 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.728 1.149 . . . . 0.0 110.981 176.481 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.98 168.95 13.22 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.911 -1.043 . . . . 0.0 108.252 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.45 126.07 5.09 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.253 -1.356 . . . . 0.0 110.393 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.67 165.5 11.24 Favored Glycine 0 C--N 1.356 1.649 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -63.08 -68.84 0.31 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.879 1.339 . . . . 0.0 110.265 -175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -81.05 -26.72 36.12 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.568 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -53.83 -41.55 67.52 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.311 1.414 . . . . 0.0 110.371 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -40.03 74.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.496 1.043 . . . . 0.0 110.423 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.45 -0.05 4.54 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.651 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -42.39 86.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.083 2.22 . . . . 0.0 109.716 175.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -79.87 4.64 16.03 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.443 -1.265 . . . . 0.0 113.405 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -55.21 -28.11 50.78 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.345 1.884 . . . . 0.0 110.295 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mm -44.68 -50.09 2.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-N 119.493 1.042 . . . . 0.0 108.777 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.55 -35.18 72.97 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.508 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -48.43 -40.91 27.74 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 120.196 1.362 . . . . 0.0 112.003 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -62.74 -70.2 0.22 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.882 1.219 . . . . 0.0 109.294 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.33 63.39 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.97 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.74 67.8 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.102 0.864 . . . . 0.0 110.178 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.94 48.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.206 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -79.75 -35.85 38.14 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.308 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.59 -39.77 61.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.999 1.272 . . . . 0.0 109.327 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -57.61 3.75 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.756 0.707 . . . . 0.0 109.816 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.32 -47.02 58.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 121.068 -1.02 . . . . 0.0 109.275 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.06 -29.8 64.5 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.371 -1.299 . . . . 0.0 111.227 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -49.66 10.01 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.256 1.389 . . . . 0.0 109.481 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.2 mt -48.49 -48.82 37.76 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.908 0.755 . . . . 0.0 109.422 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -51.16 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.431 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -85.18 42.79 0.96 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.556 1.071 . . . . 0.0 112.9 -173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -102.04 -61.47 1.38 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.095 0.861 . . . . 0.0 109.25 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -80.0 -44.74 19.65 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.271 0.941 . . . . 0.0 109.262 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -63.46 -49.78 81.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.029 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 m -99.73 -51.4 3.75 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.444 1.475 . . . . 0.0 110.838 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.356 0.857 0 CA-C-O 121.841 0.829 . . . . 0.0 108.984 -177.472 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.96 84.88 2.2 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 57.54 62.69 2.06 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.164 0.438 . . . . 0.0 109.898 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.81 177.57 17.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -65.86 -72.57 0.15 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.463 1.132 . . . . 0.0 109.646 -176.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -80.88 -27.83 36.17 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.544 -1.217 . . . . 0.0 110.191 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 m -52.42 -40.7 62.49 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.609 1.549 . . . . 0.0 109.092 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.26 -44.4 95.33 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.724 1.147 . . . . 0.0 109.528 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.772 -1.585 . . . . 0.0 113.464 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -52.72 -34.11 51.0 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 122.949 2.613 . . . . 0.0 110.47 175.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -90.52 5.34 48.16 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 118.2 -0.905 . . . . 0.0 112.812 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -57.92 -26.05 61.7 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.189 1.359 . . . . 0.0 111.052 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -44.53 -48.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.483 1.038 . . . . 0.0 109.1 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.47 -28.4 59.22 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.401 -1.285 . . . . 0.0 111.724 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -49.23 -44.05 43.11 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.946 1.703 . . . . 0.0 112.642 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.33 -38.73 69.12 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.506 1.048 . . . . 0.0 109.676 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.97 -51.36 12.56 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.34 68.54 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.934 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.77 -49.78 37.05 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.002 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.44 -25.88 38.7 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.034 -1.46 . . . . 0.0 111.267 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.87 -51.24 58.14 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.652 2.023 . . . . 0.0 109.623 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.82 -42.7 60.51 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.827 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -41.63 81.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.443 1.02 . . . . 0.0 109.224 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.63 -2.4 50.09 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 116.889 -1.529 . . . . 0.0 112.418 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.99 36.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 121.833 2.106 . . . . 0.0 108.965 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.68 -45.52 48.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.51 0.595 . . . . 0.0 110.639 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.77 -36.04 73.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.451 -1.261 . . . . 0.0 110.763 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -95.16 32.41 1.72 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.232 1.378 . . . . 0.0 111.626 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.2 m -67.59 -57.53 6.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.469 1.486 . . . . 0.0 108.783 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -40.01 79.27 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -174.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 tt -80.23 -41.82 21.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.429 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 m -97.26 -66.22 0.92 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.873 1.215 . . . . 0.0 109.038 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 119.148 0.885 . . . . 0.0 109.994 -178.184 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.99 160.68 27.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.894 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.34 133.1 6.47 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.8 -147.56 8.81 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.522 -1.71 . . . . 0.0 110.376 -173.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -64.43 -71.33 0.18 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.968 1.884 . . . . 0.0 109.592 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -85.14 -32.71 22.61 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.805 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -52.96 -32.25 44.98 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.296 1.407 . . . . 0.0 110.898 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.9 -44.78 60.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.9 1.227 . . . . 0.0 108.373 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -66.1 -8.19 22.15 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.44 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -55.28 -42.29 73.4 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.739 2.063 . . . . 0.0 110.751 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.7 -0.93 25.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.304 -1.331 . . . . 0.0 113.948 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.3 m -50.03 -29.0 7.86 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 121.583 1.992 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mm -43.56 -51.76 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.636 1.107 . . . . 0.0 109.287 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.45 -35.27 75.5 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 110.32 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -47.82 -40.05 20.04 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.158 1.344 . . . . 0.0 111.825 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -70.03 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.165 1.348 . . . . 0.0 109.566 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.66 -34.01 66.91 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.912 0.778 . . . . 0.0 111.756 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.71 75.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.783 0.72 . . . . 0.0 109.884 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.88 56.33 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.193 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -80.8 -30.52 35.9 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.832 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -50.24 -50.11 50.93 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.759 1.618 . . . . 0.0 109.44 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.33 -43.18 57.75 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 119.459 -0.896 . . . . 0.0 109.626 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -39.28 63.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 119.567 1.076 . . . . 0.0 109.516 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.255 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -44.55 15.54 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 121.264 1.847 . . . . 0.0 109.002 171.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -48.72 -45.77 39.85 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.542 0.61 . . . . 0.0 110.122 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 pp -61.01 -36.67 73.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.182 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -96.19 30.48 2.46 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.777 1.171 . . . . 0.0 111.724 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -64.46 -51.65 62.0 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.574 1.534 . . . . 0.0 109.201 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -60.25 3.17 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.412 1.46 . . . . 0.0 110.243 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tp -54.18 -38.95 40.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-O 117.152 -1.404 . . . . 0.0 111.713 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.7 m -104.32 -59.44 1.73 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.145 1.339 . . . . 0.0 110.463 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.833 0 CA-C-N 119.029 0.831 . . . . 0.0 109.584 179.098 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.1 p80 . . . . . 0 CA--C 1.512 -0.484 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.2 75.04 0.43 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.947 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.22 152.68 24.86 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 118.433 -0.794 . . . . 0.0 108.94 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.72 -176.04 20.89 Favored Glycine 0 C--N 1.356 1.686 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -63.45 -68.64 0.33 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.818 1.809 . . . . 0.0 110.068 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -76.46 -44.67 34.54 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.273 0.942 . . . . 0.0 108.593 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -43.89 -46.41 7.99 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 118.942 0.792 . . . . 0.0 112.191 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -62.55 -49.35 75.66 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.698 1.135 . . . . 0.0 109.205 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -72.28 -0.68 12.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.51 90.16 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.545 1.975 . . . . 0.0 107.339 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -75.94 2.67 11.94 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.926 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 m -54.47 -28.86 47.44 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.146 1.793 . . . . 0.0 111.143 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 mm -42.61 -48.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 119.364 0.984 . . . . 0.0 109.397 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -74.67 -30.11 61.47 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.403 -1.284 . . . . 0.0 111.67 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -47.23 -45.11 23.21 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.375 1.443 . . . . 0.0 112.558 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.55 -41.28 69.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.191 0.905 . . . . 0.0 109.333 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.46 -51.79 15.94 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.91 68.77 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.165 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.28 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.351 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -27.95 35.61 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.105 -1.426 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -50.64 -50.34 54.73 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.117 1.78 . . . . 0.0 109.698 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -73.79 -41.73 61.98 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.812 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -43.75 84.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 119.437 1.017 . . . . 0.0 109.448 -176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -83.6 3.51 32.38 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.877 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -44.61 20.42 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.698 2.044 . . . . 0.0 108.427 168.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -46.19 -45.5 16.88 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.524 0.602 . . . . 0.0 110.42 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.55 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.415 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -96.62 35.49 1.5 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 120.663 1.574 . . . . 0.0 111.829 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.5 m -71.12 -53.2 15.42 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.278 1.399 . . . . 0.0 109.106 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -66.95 -48.72 67.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.569 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tp -65.67 -43.22 93.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.149 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.5 m -107.13 -57.39 2.08 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.17 1.35 . . . . 0.0 110.55 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.355 0.817 0 CA-C-N 118.99 0.814 . . . . 0.0 108.946 -179.009 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.3 m170 . . . . . 0 CA--C 1.513 -0.453 0 CA-C-O 117.452 -1.261 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.16 69.03 0.78 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.654 1.116 . . . . 0.0 110.977 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -113.27 167.74 10.31 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.582 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.62 164.79 33.52 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 118.255 -1.303 . . . . 0.0 110.929 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -66.34 -67.06 0.48 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.282 1.541 . . . . 0.0 109.429 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -92.15 -30.86 15.73 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.3 m -54.49 -34.01 60.84 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.579 1.536 . . . . 0.0 110.237 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.4 -44.38 84.48 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.184 1.357 . . . . 0.0 109.454 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.71 -3.4 9.12 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.446 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.79 56.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.836 2.107 . . . . 0.0 109.675 174.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -83.22 8.88 11.98 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.583 -1.198 . . . . 0.0 113.907 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.2 m -58.77 -27.7 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.875 1.67 . . . . 0.0 110.516 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -43.93 -49.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.457 1.026 . . . . 0.0 108.974 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.79 -39.71 84.02 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.77 -40.33 13.38 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.003 1.274 . . . . 0.0 113.16 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.89 -70.8 0.2 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.035 1.289 . . . . 0.0 109.12 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.09 -32.66 62.16 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.876 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -39.48 73.27 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.675 0.671 . . . . 0.0 110.514 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.321 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -76.21 -31.78 58.61 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.004 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -49.87 -42.33 47.43 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.119 1.327 . . . . 0.0 109.713 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.58 -52.89 5.51 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.678 0.672 . . . . 0.0 110.566 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.85 -46.32 75.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.743 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.51 3.27 25.46 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.506 -1.712 . . . . 0.0 112.479 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -44.24 12.95 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.972 1.715 . . . . 0.0 109.591 170.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -45.02 -44.51 10.09 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.727 0.694 . . . . 0.0 110.119 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -66.33 -34.64 71.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 117.152 -1.404 . . . . 0.0 112.357 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.17 37.99 1.86 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 120.48 1.491 . . . . 0.0 111.225 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -79.99 -59.11 2.85 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.461 1.028 . . . . 0.0 109.035 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.43 -23.14 43.38 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.381 -1.295 . . . . 0.0 111.482 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -56.81 -41.66 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 121.179 1.808 . . . . 0.0 109.681 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.1 m -102.76 -54.3 2.67 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.73 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.142 0.883 . . . . 0.0 109.963 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.7 m170 . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 118.011 -0.995 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.18 80.06 0.27 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.179 0.899 . . . . 0.0 110.5 -173.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -125.56 62.68 1.2 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.1 -173.1 13.29 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -64.05 -68.65 0.33 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.818 1.309 . . . . 0.0 109.596 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -83.81 -30.63 26.39 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.057 0.844 . . . . 0.0 110.321 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -55.08 -37.66 67.08 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.715 1.143 . . . . 0.0 109.729 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.41 -39.97 89.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.26 1.391 . . . . 0.0 109.802 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.92 -5.53 9.59 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.082 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.64 -37.41 40.52 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 121.764 2.075 . . . . 0.0 110.261 172.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -80.85 -1.19 42.22 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.564 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -55.4 -27.51 48.17 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.686 1.585 . . . . 0.0 112.051 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.8 mm -44.29 -48.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.767 1.167 . . . . 0.0 108.881 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.83 -38.95 80.19 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.726 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -47.35 -39.35 14.8 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.159 1.345 . . . . 0.0 113.138 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.59 -70.31 0.23 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.212 1.369 . . . . 0.0 109.107 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.69 63.7 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.729 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.49 70.79 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.613 0.642 . . . . 0.0 110.554 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.92 60.55 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -75.79 -33.27 60.14 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.379 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -47.33 -41.46 19.41 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 120.424 1.465 . . . . 0.0 109.732 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -86.7 -56.22 3.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.483 0.583 . . . . 0.0 110.317 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -52.47 -48.62 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.632 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -35.8 80.7 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.756 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -47.29 66.59 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.365 0.984 . . . . 0.0 112.225 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -49.24 -33.86 13.67 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.26 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.86 -49.51 34.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.49 37.81 0.41 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -101.72 -47.19 4.7 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.527 1.058 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 34.87 3.02 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.361 0.528 . . . . 0.0 110.281 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -151.36 -54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.623 -1.179 . . . . 0.0 109.296 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -88.02 -50.97 6.06 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 120.794 1.634 . . . . 0.0 109.687 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 t0 . . . . . 0 C--N 1.357 0.919 0 CA-C-N 118.961 0.801 . . . . 0.0 110.143 -173.398 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.5 t60 . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.92 93.64 2.7 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.523 1.056 . . . . 0.0 108.784 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -107.25 65.21 0.65 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.97 0.804 . . . . 0.0 109.877 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.69 -174.7 21.2 Favored Glycine 0 C--N 1.355 1.593 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.837 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -77.09 -162.63 0.29 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 72.25 12.06 5.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.925 -1.035 . . . . 0.0 111.299 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -89.02 -53.06 4.76 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.47 -37.01 79.63 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.652 1.114 . . . . 0.0 109.988 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 -10.34 59.66 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.208 -1.377 . . . . 0.0 112.384 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -33.94 65.39 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.473 1.942 . . . . 0.0 110.446 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.04 6.84 30.46 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.408 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -60.42 -23.54 64.47 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.025 1.284 . . . . 0.0 110.691 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mm -48.05 -55.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.787 1.176 . . . . 0.0 108.753 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.8 -26.14 65.93 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.835 -1.078 . . . . 0.0 111.624 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -55.4 -38.64 69.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.245 1.384 . . . . 0.0 111.097 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.12 -67.16 0.45 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.526 1.057 . . . . 0.0 108.951 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.55 -32.81 67.49 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.635 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -43.38 65.88 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.143 0.883 . . . . 0.0 109.926 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.84 -48.11 51.2 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.766 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -77.78 -34.74 52.11 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.437 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.34 -40.28 58.79 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.256 1.389 . . . . 0.0 109.172 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -50.88 24.56 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.313 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 mm -59.93 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 119.648 1.113 . . . . 0.0 109.821 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.04 5.21 8.5 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 116.545 -1.693 . . . . 0.0 113.338 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -46.66 14.23 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 122.292 2.315 . . . . 0.0 108.878 170.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.48 -44.81 17.88 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 118.455 0.57 . . . . 0.0 110.423 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.26 -37.15 79.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.257 -1.354 . . . . 0.0 111.517 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.77 41.08 1.12 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.46 1.482 . . . . 0.0 111.483 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -76.34 -62.01 1.76 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.599 1.091 . . . . 0.0 108.125 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -38.05 46.34 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.785 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tt -85.27 -42.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.7 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -100.43 -69.71 0.76 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 120.069 1.304 . . . . 0.0 108.604 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.886 1.221 . . . . 0.0 110.7 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.15 123.03 2.6 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.377 -1.297 . . . . 0.0 108.175 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.26 173.34 12.68 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.298 1.408 . . . . 0.0 107.747 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.57 -157.21 15.36 Favored Glycine 0 C--N 1.355 1.602 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -77.22 -162.18 0.27 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.187 0.993 . . . . 0.0 110.206 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 71.92 15.87 5.61 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.987 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -90.1 -54.11 4.17 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -58.52 -42.03 86.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.779 1.172 . . . . 0.0 109.793 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.11 -4.23 49.27 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 116.91 -1.519 . . . . 0.0 113.568 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -33.76 66.6 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 121.827 2.103 . . . . 0.0 109.654 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -86.63 -0.46 56.25 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.714 -1.136 . . . . 0.0 112.867 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 m -54.19 -27.65 35.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.275 1.398 . . . . 0.0 111.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 mm -43.72 -50.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 119.379 0.991 . . . . 0.0 109.11 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.22 -39.12 82.44 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.085 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.85 -38.32 10.15 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.854 1.207 . . . . 0.0 113.112 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.08 -71.95 0.17 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.234 1.379 . . . . 0.0 109.19 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.64 -34.22 57.83 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.84 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.42 78.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.704 0.684 . . . . 0.0 109.741 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.7 63.52 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.243 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -32.78 63.16 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.158 -1.401 . . . . 0.0 110.683 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -49.67 -49.74 46.3 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.9 1.682 . . . . 0.0 109.701 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -74.77 -44.04 51.71 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.488 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -43.98 63.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.316 0.962 . . . . 0.0 109.503 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.14 -10.35 59.59 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.918 -1.515 . . . . 0.0 113.013 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.82 63.43 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 122.198 2.272 . . . . 0.0 110.293 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.07 -45.73 79.24 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.944 1.247 . . . . 0.0 109.848 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.8 pt -60.12 -29.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.222 -1.37 . . . . 0.0 110.955 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.9 34.78 1.07 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.687 1.585 . . . . 0.0 111.447 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.7 m -75.15 -55.93 5.24 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.873 1.215 . . . . 0.0 108.034 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -39.62 68.8 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.828 0.74 . . . . 0.0 112.183 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 tt -82.65 -43.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.78 -172.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.6 m -100.62 -56.99 2.2 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.919 1.236 . . . . 0.0 109.182 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.354 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.83 154.75 42.18 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.562 -1.208 . . . . 0.0 110.752 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 60.67 159.2 0.04 OUTLIER 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.076 0.86 . . . . 0.0 112.313 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.49 134.81 3.39 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.618 -1.657 . . . . 0.0 110.241 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -73.33 -63.68 1.14 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.872 1.836 . . . . 0.0 107.992 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -90.46 -30.33 17.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.262 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.1 m -57.68 -36.63 72.19 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.662 1.574 . . . . 0.0 109.774 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.58 -39.17 87.08 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.468 1.486 . . . . 0.0 109.793 173.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.66 -6.09 14.18 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.2 -1.381 . . . . 0.0 112.489 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -34.07 54.91 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.847 2.112 . . . . 0.0 111.04 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.54 8.33 25.52 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.072 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -61.48 -22.27 64.94 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.186 1.357 . . . . 0.0 110.645 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -47.64 -55.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 119.937 1.244 . . . . 0.0 108.915 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.66 -28.34 66.79 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.16 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.2 -40.59 74.24 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.375 1.443 . . . . 0.0 111.956 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.56 -37.9 71.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.341 0.973 . . . . 0.0 109.372 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.02 -52.03 10.06 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.02 68.69 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.986 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -48.47 33.68 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.357 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -30.86 41.21 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.32 -1.324 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.88 -49.63 38.78 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.625 1.557 . . . . 0.0 109.59 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.22 -46.04 52.58 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.142 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -45.52 53.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 119.133 0.879 . . . . 0.0 109.837 -173.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.65 -34.23 64.86 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.035 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 -44.81 10.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.143 1.338 . . . . 0.0 110.741 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.0 mt -51.71 -46.75 64.03 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.266 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.69 -52.42 61.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-O 117.749 -1.12 . . . . 0.0 109.328 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -78.43 55.32 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.97 1.259 . . . . 0.0 111.726 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 m -120.37 -62.92 1.41 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.055 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -78.78 -45.96 19.88 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.255 0.934 . . . . 0.0 108.656 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.2 tt -63.84 -46.58 93.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.989 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 m -90.98 -53.1 4.53 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.914 1.234 . . . . 0.0 110.278 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.355 0.834 0 CA-C-N 118.753 0.706 . . . . 0.0 111.196 -178.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 m80 . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.775 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.92 64.96 1.66 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.144 0.884 . . . . 0.0 112.787 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -77.13 136.54 38.62 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.6 -1.191 . . . . 0.0 108.491 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.69 39.84 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -72.91 -78.71 0.09 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.459 1.129 . . . . 0.0 108.878 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.27 -28.5 61.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.674 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -45.13 43.71 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.994 1.27 . . . . 0.0 109.142 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.35 -43.54 85.76 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.858 -1.067 . . . . 0.0 111.128 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.64 -9.12 5.42 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.33 1.423 . . . . 0.0 112.66 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 99.5 mmm -55.42 -33.75 63.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 122.203 2.274 . . . . 0.0 110.106 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -89.55 23.02 2.75 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.955 1.252 . . . . 0.0 112.621 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -73.34 -20.02 60.88 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.37 1.441 . . . . 0.0 110.048 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -50.69 -55.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.965 1.257 . . . . 0.0 108.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.62 -30.77 69.57 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.297 -1.335 . . . . 0.0 110.563 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.36 -40.9 62.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.552 1.523 . . . . 0.0 110.974 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -53.84 -40.19 66.23 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.738 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.84 -48.64 20.72 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 -36.4 68.18 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.137 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.95 16.82 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.53 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -30.39 30.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 116.813 -1.565 . . . . 0.0 111.07 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -48.89 -49.03 41.72 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 121.447 1.931 . . . . 0.0 109.789 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -75.17 -42.44 55.9 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.744 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -44.57 85.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 119.849 1.204 . . . . 0.0 109.462 -176.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -81.54 3.55 24.56 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 116.407 -1.759 . . . . 0.0 112.717 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -43.69 17.92 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 122.437 2.381 . . . . 0.0 108.853 170.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -45.63 -44.92 13.58 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.654 0.661 . . . . 0.0 110.189 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.66 -35.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.054 -1.45 . . . . 0.0 111.984 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -103.22 41.42 1.26 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.697 1.589 . . . . 0.0 111.337 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.1 m -82.32 -58.61 2.86 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.219 0.918 . . . . 0.0 108.705 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.12 -29.61 57.91 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.658 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 tp -55.11 -36.79 40.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.188 1.358 . . . . 0.0 110.884 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.7 m -120.71 -56.92 1.93 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.698 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.728 1.149 . . . . 0.0 110.981 176.481 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.8 p90 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -53.83 -41.55 67.52 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.311 1.414 . . . . 0.0 110.371 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -40.03 74.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.496 1.043 . . . . 0.0 110.423 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.45 -0.05 4.54 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.651 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -42.39 86.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.083 2.22 . . . . 0.0 109.716 175.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -79.87 4.64 16.03 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.443 -1.265 . . . . 0.0 113.405 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -55.21 -28.11 50.78 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.345 1.884 . . . . 0.0 110.295 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mm -44.68 -50.09 2.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-N 119.493 1.042 . . . . 0.0 108.777 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.55 -35.18 72.97 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.508 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -48.43 -40.91 27.74 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 120.196 1.362 . . . . 0.0 112.003 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -62.74 -70.2 0.22 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.882 1.219 . . . . 0.0 109.294 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.33 63.39 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.97 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.74 67.8 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.102 0.864 . . . . 0.0 110.178 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.94 48.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.206 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -79.75 -35.85 38.14 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.308 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.59 -39.77 61.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.999 1.272 . . . . 0.0 109.327 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -57.61 3.75 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.756 0.707 . . . . 0.0 109.816 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.32 -47.02 58.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 121.068 -1.02 . . . . 0.0 109.275 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.06 -29.8 64.5 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.371 -1.299 . . . . 0.0 111.227 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -49.66 10.01 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.256 1.389 . . . . 0.0 109.481 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.2 mt -48.49 -48.82 37.76 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.908 0.755 . . . . 0.0 109.422 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -51.16 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.431 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -85.18 42.79 0.96 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.556 1.071 . . . . 0.0 112.9 -173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -102.04 -61.47 1.38 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.095 0.861 . . . . 0.0 109.25 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -80.0 -44.74 19.65 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.271 0.941 . . . . 0.0 109.262 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -63.46 -49.78 81.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.029 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 m -99.73 -51.4 3.75 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.444 1.475 . . . . 0.0 110.838 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.356 0.857 0 CA-C-O 121.841 0.829 . . . . 0.0 108.984 -177.472 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 117.544 -1.217 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 m -52.42 -40.7 62.49 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.609 1.549 . . . . 0.0 109.092 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.26 -44.4 95.33 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.724 1.147 . . . . 0.0 109.528 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.772 -1.585 . . . . 0.0 113.464 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -52.72 -34.11 51.0 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 122.949 2.613 . . . . 0.0 110.47 175.388 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -90.52 5.34 48.16 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 118.2 -0.905 . . . . 0.0 112.812 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -57.92 -26.05 61.7 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.189 1.359 . . . . 0.0 111.052 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -44.53 -48.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.483 1.038 . . . . 0.0 109.1 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.47 -28.4 59.22 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.401 -1.285 . . . . 0.0 111.724 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -49.23 -44.05 43.11 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.946 1.703 . . . . 0.0 112.642 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.33 -38.73 69.12 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.506 1.048 . . . . 0.0 109.676 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.97 -51.36 12.56 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.34 68.54 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.934 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.77 -49.78 37.05 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.002 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.44 -25.88 38.7 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.034 -1.46 . . . . 0.0 111.267 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.87 -51.24 58.14 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.652 2.023 . . . . 0.0 109.623 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.82 -42.7 60.51 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.827 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -41.63 81.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.443 1.02 . . . . 0.0 109.224 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.63 -2.4 50.09 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 116.889 -1.529 . . . . 0.0 112.418 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.99 36.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 121.833 2.106 . . . . 0.0 108.965 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.68 -45.52 48.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.51 0.595 . . . . 0.0 110.639 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.77 -36.04 73.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.451 -1.261 . . . . 0.0 110.763 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -95.16 32.41 1.72 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.232 1.378 . . . . 0.0 111.626 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.2 m -67.59 -57.53 6.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.469 1.486 . . . . 0.0 108.783 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -40.01 79.27 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -174.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 tt -80.23 -41.82 21.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.429 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 m -97.26 -66.22 0.92 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.873 1.215 . . . . 0.0 109.038 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 119.148 0.885 . . . . 0.0 109.994 -178.184 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -52.96 -32.25 44.98 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.296 1.407 . . . . 0.0 110.898 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.9 -44.78 60.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.9 1.227 . . . . 0.0 108.373 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -66.1 -8.19 22.15 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.44 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -55.28 -42.29 73.4 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.739 2.063 . . . . 0.0 110.751 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.7 -0.93 25.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.304 -1.331 . . . . 0.0 113.948 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.3 m -50.03 -29.0 7.86 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 121.583 1.992 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mm -43.56 -51.76 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.636 1.107 . . . . 0.0 109.287 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.45 -35.27 75.5 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 110.32 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -47.82 -40.05 20.04 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.158 1.344 . . . . 0.0 111.825 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -70.03 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.165 1.348 . . . . 0.0 109.566 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.66 -34.01 66.91 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.912 0.778 . . . . 0.0 111.756 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.71 75.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.783 0.72 . . . . 0.0 109.884 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.88 56.33 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.193 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -80.8 -30.52 35.9 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.832 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -50.24 -50.11 50.93 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.759 1.618 . . . . 0.0 109.44 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.33 -43.18 57.75 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 119.459 -0.896 . . . . 0.0 109.626 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -39.28 63.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 119.567 1.076 . . . . 0.0 109.516 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.255 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -44.55 15.54 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 121.264 1.847 . . . . 0.0 109.002 171.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -48.72 -45.77 39.85 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.542 0.61 . . . . 0.0 110.122 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 pp -61.01 -36.67 73.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.182 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -96.19 30.48 2.46 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.777 1.171 . . . . 0.0 111.724 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -64.46 -51.65 62.0 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.574 1.534 . . . . 0.0 109.201 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -60.25 3.17 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.412 1.46 . . . . 0.0 110.243 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tp -54.18 -38.95 40.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-O 117.152 -1.404 . . . . 0.0 111.713 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.7 m -104.32 -59.44 1.73 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.145 1.339 . . . . 0.0 110.463 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.833 0 CA-C-N 119.029 0.831 . . . . 0.0 109.584 179.098 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -43.89 -46.41 7.99 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 118.942 0.792 . . . . 0.0 112.191 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -62.55 -49.35 75.66 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.698 1.135 . . . . 0.0 109.205 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -72.28 -0.68 12.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.51 90.16 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.545 1.975 . . . . 0.0 107.339 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -75.94 2.67 11.94 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.926 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 m -54.47 -28.86 47.44 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.146 1.793 . . . . 0.0 111.143 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 mm -42.61 -48.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 119.364 0.984 . . . . 0.0 109.397 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -74.67 -30.11 61.47 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.403 -1.284 . . . . 0.0 111.67 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -47.23 -45.11 23.21 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.375 1.443 . . . . 0.0 112.558 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.55 -41.28 69.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.191 0.905 . . . . 0.0 109.333 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.46 -51.79 15.94 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.91 68.77 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.165 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.28 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.351 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -27.95 35.61 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.105 -1.426 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -50.64 -50.34 54.73 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.117 1.78 . . . . 0.0 109.698 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -73.79 -41.73 61.98 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.812 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -43.75 84.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 119.437 1.017 . . . . 0.0 109.448 -176.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -83.6 3.51 32.38 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.877 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -44.61 20.42 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.698 2.044 . . . . 0.0 108.427 168.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -46.19 -45.5 16.88 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.524 0.602 . . . . 0.0 110.42 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.55 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.415 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -96.62 35.49 1.5 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 120.663 1.574 . . . . 0.0 111.829 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.5 m -71.12 -53.2 15.42 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.278 1.399 . . . . 0.0 109.106 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -66.95 -48.72 67.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.569 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tp -65.67 -43.22 93.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.149 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.5 m -107.13 -57.39 2.08 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.17 1.35 . . . . 0.0 110.55 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.355 0.817 0 CA-C-N 118.99 0.814 . . . . 0.0 108.946 -179.009 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 p90 . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.3 m -54.49 -34.01 60.84 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.579 1.536 . . . . 0.0 110.237 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.4 -44.38 84.48 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.184 1.357 . . . . 0.0 109.454 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.71 -3.4 9.12 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.446 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.79 56.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.836 2.107 . . . . 0.0 109.675 174.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -83.22 8.88 11.98 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.583 -1.198 . . . . 0.0 113.907 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.2 m -58.77 -27.7 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.875 1.67 . . . . 0.0 110.516 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -43.93 -49.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.457 1.026 . . . . 0.0 108.974 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.79 -39.71 84.02 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.77 -40.33 13.38 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.003 1.274 . . . . 0.0 113.16 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.89 -70.8 0.2 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.035 1.289 . . . . 0.0 109.12 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.09 -32.66 62.16 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.876 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -39.48 73.27 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.675 0.671 . . . . 0.0 110.514 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.321 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -76.21 -31.78 58.61 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.004 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -49.87 -42.33 47.43 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.119 1.327 . . . . 0.0 109.713 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.58 -52.89 5.51 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.678 0.672 . . . . 0.0 110.566 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.85 -46.32 75.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.743 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.51 3.27 25.46 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.506 -1.712 . . . . 0.0 112.479 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -44.24 12.95 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.972 1.715 . . . . 0.0 109.591 170.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -45.02 -44.51 10.09 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.727 0.694 . . . . 0.0 110.119 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -66.33 -34.64 71.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 117.152 -1.404 . . . . 0.0 112.357 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.17 37.99 1.86 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 120.48 1.491 . . . . 0.0 111.225 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -79.99 -59.11 2.85 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.461 1.028 . . . . 0.0 109.035 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.43 -23.14 43.38 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.381 -1.295 . . . . 0.0 111.482 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -56.81 -41.66 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 121.179 1.808 . . . . 0.0 109.681 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.1 m -102.76 -54.3 2.67 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.73 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.142 0.883 . . . . 0.0 109.963 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -55.08 -37.66 67.08 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.715 1.143 . . . . 0.0 109.729 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.41 -39.97 89.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.26 1.391 . . . . 0.0 109.802 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.92 -5.53 9.59 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.082 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.64 -37.41 40.52 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 121.764 2.075 . . . . 0.0 110.261 172.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -80.85 -1.19 42.22 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.564 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -55.4 -27.51 48.17 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.686 1.585 . . . . 0.0 112.051 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.8 mm -44.29 -48.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.767 1.167 . . . . 0.0 108.881 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.83 -38.95 80.19 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.726 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -47.35 -39.35 14.8 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.159 1.345 . . . . 0.0 113.138 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.59 -70.31 0.23 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.212 1.369 . . . . 0.0 109.107 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.69 63.7 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.729 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.49 70.79 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.613 0.642 . . . . 0.0 110.554 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.92 60.55 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -75.79 -33.27 60.14 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.379 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -47.33 -41.46 19.41 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 120.424 1.465 . . . . 0.0 109.732 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -86.7 -56.22 3.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.483 0.583 . . . . 0.0 110.317 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -52.47 -48.62 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.632 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -35.8 80.7 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.756 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -47.29 66.59 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.365 0.984 . . . . 0.0 112.225 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -49.24 -33.86 13.67 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.26 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.86 -49.51 34.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.49 37.81 0.41 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -101.72 -47.19 4.7 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.527 1.058 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 34.87 3.02 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.361 0.528 . . . . 0.0 110.281 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -151.36 -54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.623 -1.179 . . . . 0.0 109.296 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -88.02 -50.97 6.06 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 120.794 1.634 . . . . 0.0 109.687 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 t0 . . . . . 0 C--N 1.357 0.919 0 CA-C-N 118.961 0.801 . . . . 0.0 110.143 -173.398 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.925 -1.035 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -89.02 -53.06 4.76 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.47 -37.01 79.63 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.652 1.114 . . . . 0.0 109.988 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 -10.34 59.66 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.208 -1.377 . . . . 0.0 112.384 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -33.94 65.39 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.473 1.942 . . . . 0.0 110.446 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.04 6.84 30.46 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.408 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -60.42 -23.54 64.47 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.025 1.284 . . . . 0.0 110.691 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mm -48.05 -55.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.787 1.176 . . . . 0.0 108.753 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.8 -26.14 65.93 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.835 -1.078 . . . . 0.0 111.624 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -55.4 -38.64 69.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.245 1.384 . . . . 0.0 111.097 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.12 -67.16 0.45 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.526 1.057 . . . . 0.0 108.951 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.55 -32.81 67.49 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.635 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -43.38 65.88 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.143 0.883 . . . . 0.0 109.926 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.84 -48.11 51.2 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.766 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -77.78 -34.74 52.11 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.437 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.34 -40.28 58.79 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.256 1.389 . . . . 0.0 109.172 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -50.88 24.56 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.313 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 mm -59.93 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 119.648 1.113 . . . . 0.0 109.821 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.04 5.21 8.5 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 116.545 -1.693 . . . . 0.0 113.338 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -46.66 14.23 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 122.292 2.315 . . . . 0.0 108.878 170.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.48 -44.81 17.88 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 118.455 0.57 . . . . 0.0 110.423 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.26 -37.15 79.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.257 -1.354 . . . . 0.0 111.517 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.77 41.08 1.12 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.46 1.482 . . . . 0.0 111.483 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -76.34 -62.01 1.76 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.599 1.091 . . . . 0.0 108.125 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -38.05 46.34 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.785 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tt -85.27 -42.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.7 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -100.43 -69.71 0.76 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 120.069 1.304 . . . . 0.0 108.604 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.886 1.221 . . . . 0.0 110.7 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -90.1 -54.11 4.17 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -58.52 -42.03 86.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.779 1.172 . . . . 0.0 109.793 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.11 -4.23 49.27 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 116.91 -1.519 . . . . 0.0 113.568 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -33.76 66.6 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 121.827 2.103 . . . . 0.0 109.654 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -86.63 -0.46 56.25 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.714 -1.136 . . . . 0.0 112.867 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 m -54.19 -27.65 35.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.275 1.398 . . . . 0.0 111.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 mm -43.72 -50.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 119.379 0.991 . . . . 0.0 109.11 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.22 -39.12 82.44 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.085 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.85 -38.32 10.15 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.854 1.207 . . . . 0.0 113.112 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.08 -71.95 0.17 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.234 1.379 . . . . 0.0 109.19 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.64 -34.22 57.83 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.84 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.42 78.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.704 0.684 . . . . 0.0 109.741 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.7 63.52 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.243 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -32.78 63.16 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.158 -1.401 . . . . 0.0 110.683 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -49.67 -49.74 46.3 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.9 1.682 . . . . 0.0 109.701 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -74.77 -44.04 51.71 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.488 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -43.98 63.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.316 0.962 . . . . 0.0 109.503 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.14 -10.35 59.59 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.918 -1.515 . . . . 0.0 113.013 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.82 63.43 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 122.198 2.272 . . . . 0.0 110.293 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.07 -45.73 79.24 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.944 1.247 . . . . 0.0 109.848 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.8 pt -60.12 -29.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.222 -1.37 . . . . 0.0 110.955 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.9 34.78 1.07 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.687 1.585 . . . . 0.0 111.447 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.7 m -75.15 -55.93 5.24 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.873 1.215 . . . . 0.0 108.034 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -39.62 68.8 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.828 0.74 . . . . 0.0 112.183 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 tt -82.65 -43.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.78 -172.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.6 m -100.62 -56.99 2.2 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.919 1.236 . . . . 0.0 109.182 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.354 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.5 p90 . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.1 m -57.68 -36.63 72.19 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.662 1.574 . . . . 0.0 109.774 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.58 -39.17 87.08 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.468 1.486 . . . . 0.0 109.793 173.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.66 -6.09 14.18 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.2 -1.381 . . . . 0.0 112.489 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -34.07 54.91 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.847 2.112 . . . . 0.0 111.04 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.54 8.33 25.52 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.072 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -61.48 -22.27 64.94 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.186 1.357 . . . . 0.0 110.645 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -47.64 -55.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 119.937 1.244 . . . . 0.0 108.915 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.66 -28.34 66.79 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.16 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.2 -40.59 74.24 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.375 1.443 . . . . 0.0 111.956 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.56 -37.9 71.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.341 0.973 . . . . 0.0 109.372 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.02 -52.03 10.06 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.02 68.69 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.986 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -48.47 33.68 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.357 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -30.86 41.21 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.32 -1.324 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.88 -49.63 38.78 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.625 1.557 . . . . 0.0 109.59 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.22 -46.04 52.58 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.142 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -45.52 53.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 119.133 0.879 . . . . 0.0 109.837 -173.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.65 -34.23 64.86 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.035 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 -44.81 10.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.143 1.338 . . . . 0.0 110.741 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.0 mt -51.71 -46.75 64.03 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.266 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.69 -52.42 61.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-O 117.749 -1.12 . . . . 0.0 109.328 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -78.43 55.32 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.97 1.259 . . . . 0.0 111.726 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 m -120.37 -62.92 1.41 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.055 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -78.78 -45.96 19.88 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.255 0.934 . . . . 0.0 108.656 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.2 tt -63.84 -46.58 93.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.989 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 m -90.98 -53.1 4.53 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.914 1.234 . . . . 0.0 110.278 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.355 0.834 0 CA-C-N 118.753 0.706 . . . . 0.0 111.196 -178.728 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -45.13 43.71 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.994 1.27 . . . . 0.0 109.142 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.35 -43.54 85.76 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.858 -1.067 . . . . 0.0 111.128 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.64 -9.12 5.42 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.33 1.423 . . . . 0.0 112.66 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 99.5 mmm -55.42 -33.75 63.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 122.203 2.274 . . . . 0.0 110.106 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -89.55 23.02 2.75 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.955 1.252 . . . . 0.0 112.621 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -73.34 -20.02 60.88 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.37 1.441 . . . . 0.0 110.048 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -50.69 -55.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.965 1.257 . . . . 0.0 108.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.62 -30.77 69.57 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.297 -1.335 . . . . 0.0 110.563 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.36 -40.9 62.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.552 1.523 . . . . 0.0 110.974 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -53.84 -40.19 66.23 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.738 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.84 -48.64 20.72 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 -36.4 68.18 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.137 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.95 16.82 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.53 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -30.39 30.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 116.813 -1.565 . . . . 0.0 111.07 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -48.89 -49.03 41.72 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 121.447 1.931 . . . . 0.0 109.789 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -75.17 -42.44 55.9 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.744 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -44.57 85.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 119.849 1.204 . . . . 0.0 109.462 -176.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -81.54 3.55 24.56 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 116.407 -1.759 . . . . 0.0 112.717 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -43.69 17.92 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 122.437 2.381 . . . . 0.0 108.853 170.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -45.63 -44.92 13.58 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.654 0.661 . . . . 0.0 110.189 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.66 -35.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.054 -1.45 . . . . 0.0 111.984 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -103.22 41.42 1.26 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.697 1.589 . . . . 0.0 111.337 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.1 m -82.32 -58.61 2.86 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.219 0.918 . . . . 0.0 108.705 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.12 -29.61 57.91 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.658 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 tp -55.11 -36.79 40.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.188 1.358 . . . . 0.0 110.884 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.7 m -120.71 -56.92 1.93 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.698 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.728 1.149 . . . . 0.0 110.981 176.481 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.98 168.95 13.22 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.911 -1.043 . . . . 0.0 108.252 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.45 126.07 5.09 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.253 -1.356 . . . . 0.0 110.393 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.67 165.5 11.24 Favored Glycine 0 C--N 1.356 1.649 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -63.08 -68.84 0.31 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.879 1.339 . . . . 0.0 110.265 -175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -81.05 -26.72 36.12 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.568 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -53.83 -41.55 67.52 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.311 1.414 . . . . 0.0 110.371 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -40.03 74.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.496 1.043 . . . . 0.0 110.423 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.45 -0.05 4.54 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.651 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -42.39 86.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.083 2.22 . . . . 0.0 109.716 175.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -79.87 4.64 16.03 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.443 -1.265 . . . . 0.0 113.405 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -55.21 -28.11 50.78 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.345 1.884 . . . . 0.0 110.295 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mm -44.68 -50.09 2.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-N 119.493 1.042 . . . . 0.0 108.777 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.55 -35.18 72.97 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.508 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -48.43 -40.91 27.74 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 120.196 1.362 . . . . 0.0 112.003 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -62.74 -70.2 0.22 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.882 1.219 . . . . 0.0 109.294 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.33 63.39 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.97 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.74 67.8 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.102 0.864 . . . . 0.0 110.178 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.94 48.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.206 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -79.75 -35.85 38.14 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.308 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.59 -39.77 61.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.999 1.272 . . . . 0.0 109.327 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -57.61 3.75 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.756 0.707 . . . . 0.0 109.816 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.32 -47.02 58.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 121.068 -1.02 . . . . 0.0 109.275 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.06 -29.8 64.5 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.371 -1.299 . . . . 0.0 111.227 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -49.66 10.01 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.256 1.389 . . . . 0.0 109.481 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.2 mt -48.49 -48.82 37.76 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.908 0.755 . . . . 0.0 109.422 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -51.16 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.431 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -85.18 42.79 0.96 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.556 1.071 . . . . 0.0 112.9 -173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -102.04 -61.47 1.38 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.095 0.861 . . . . 0.0 109.25 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -80.0 -44.74 19.65 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.271 0.941 . . . . 0.0 109.262 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -63.46 -49.78 81.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.029 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 m -99.73 -51.4 3.75 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.444 1.475 . . . . 0.0 110.838 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.356 0.857 0 CA-C-O 121.841 0.829 . . . . 0.0 108.984 -177.472 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 78.6 m80 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.96 84.88 2.2 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 57.54 62.69 2.06 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.164 0.438 . . . . 0.0 109.898 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.81 177.57 17.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -65.86 -72.57 0.15 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.463 1.132 . . . . 0.0 109.646 -176.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -80.88 -27.83 36.17 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.544 -1.217 . . . . 0.0 110.191 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 m -52.42 -40.7 62.49 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.609 1.549 . . . . 0.0 109.092 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.26 -44.4 95.33 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.724 1.147 . . . . 0.0 109.528 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.772 -1.585 . . . . 0.0 113.464 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -52.72 -34.11 51.0 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 122.949 2.613 . . . . 0.0 110.47 175.388 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -90.52 5.34 48.16 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 118.2 -0.905 . . . . 0.0 112.812 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -57.92 -26.05 61.7 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.189 1.359 . . . . 0.0 111.052 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -44.53 -48.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.483 1.038 . . . . 0.0 109.1 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.47 -28.4 59.22 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.401 -1.285 . . . . 0.0 111.724 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -49.23 -44.05 43.11 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.946 1.703 . . . . 0.0 112.642 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.33 -38.73 69.12 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.506 1.048 . . . . 0.0 109.676 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.97 -51.36 12.56 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.34 68.54 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.934 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.77 -49.78 37.05 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.002 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.44 -25.88 38.7 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.034 -1.46 . . . . 0.0 111.267 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.87 -51.24 58.14 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.652 2.023 . . . . 0.0 109.623 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.82 -42.7 60.51 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.827 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -41.63 81.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.443 1.02 . . . . 0.0 109.224 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.63 -2.4 50.09 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 116.889 -1.529 . . . . 0.0 112.418 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.99 36.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 121.833 2.106 . . . . 0.0 108.965 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.68 -45.52 48.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.51 0.595 . . . . 0.0 110.639 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.77 -36.04 73.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.451 -1.261 . . . . 0.0 110.763 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -95.16 32.41 1.72 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.232 1.378 . . . . 0.0 111.626 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.2 m -67.59 -57.53 6.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.469 1.486 . . . . 0.0 108.783 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -40.01 79.27 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -174.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 tt -80.23 -41.82 21.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.429 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 m -97.26 -66.22 0.92 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.873 1.215 . . . . 0.0 109.038 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 119.148 0.885 . . . . 0.0 109.994 -178.184 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.99 160.68 27.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.894 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.34 133.1 6.47 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.8 -147.56 8.81 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.522 -1.71 . . . . 0.0 110.376 -173.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -64.43 -71.33 0.18 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.968 1.884 . . . . 0.0 109.592 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -85.14 -32.71 22.61 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.805 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -52.96 -32.25 44.98 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.296 1.407 . . . . 0.0 110.898 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.9 -44.78 60.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.9 1.227 . . . . 0.0 108.373 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -66.1 -8.19 22.15 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.44 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -55.28 -42.29 73.4 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.739 2.063 . . . . 0.0 110.751 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.7 -0.93 25.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.304 -1.331 . . . . 0.0 113.948 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.3 m -50.03 -29.0 7.86 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 121.583 1.992 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mm -43.56 -51.76 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.636 1.107 . . . . 0.0 109.287 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.45 -35.27 75.5 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 110.32 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -47.82 -40.05 20.04 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.158 1.344 . . . . 0.0 111.825 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -70.03 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.165 1.348 . . . . 0.0 109.566 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.66 -34.01 66.91 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.912 0.778 . . . . 0.0 111.756 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.71 75.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.783 0.72 . . . . 0.0 109.884 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.88 56.33 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.193 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -80.8 -30.52 35.9 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.832 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -50.24 -50.11 50.93 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.759 1.618 . . . . 0.0 109.44 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.33 -43.18 57.75 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 119.459 -0.896 . . . . 0.0 109.626 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -39.28 63.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 119.567 1.076 . . . . 0.0 109.516 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.255 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -44.55 15.54 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 121.264 1.847 . . . . 0.0 109.002 171.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -48.72 -45.77 39.85 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.542 0.61 . . . . 0.0 110.122 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 pp -61.01 -36.67 73.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.182 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -96.19 30.48 2.46 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.777 1.171 . . . . 0.0 111.724 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -64.46 -51.65 62.0 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.574 1.534 . . . . 0.0 109.201 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -60.25 3.17 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.412 1.46 . . . . 0.0 110.243 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tp -54.18 -38.95 40.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-O 117.152 -1.404 . . . . 0.0 111.713 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.7 m -104.32 -59.44 1.73 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.145 1.339 . . . . 0.0 110.463 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.833 0 CA-C-N 119.029 0.831 . . . . 0.0 109.584 179.098 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.1 p80 . . . . . 0 CA--C 1.512 -0.484 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.2 75.04 0.43 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.947 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.22 152.68 24.86 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 118.433 -0.794 . . . . 0.0 108.94 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.72 -176.04 20.89 Favored Glycine 0 C--N 1.356 1.686 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -63.45 -68.64 0.33 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.818 1.809 . . . . 0.0 110.068 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -76.46 -44.67 34.54 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.273 0.942 . . . . 0.0 108.593 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -43.89 -46.41 7.99 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 118.942 0.792 . . . . 0.0 112.191 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -62.55 -49.35 75.66 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.698 1.135 . . . . 0.0 109.205 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -72.28 -0.68 12.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.51 90.16 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.545 1.975 . . . . 0.0 107.339 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -75.94 2.67 11.94 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.926 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 m -54.47 -28.86 47.44 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.146 1.793 . . . . 0.0 111.143 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 mm -42.61 -48.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 119.364 0.984 . . . . 0.0 109.397 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -74.67 -30.11 61.47 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.403 -1.284 . . . . 0.0 111.67 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -47.23 -45.11 23.21 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.375 1.443 . . . . 0.0 112.558 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.55 -41.28 69.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.191 0.905 . . . . 0.0 109.333 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.46 -51.79 15.94 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.91 68.77 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.165 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.28 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.351 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -27.95 35.61 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.105 -1.426 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -50.64 -50.34 54.73 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.117 1.78 . . . . 0.0 109.698 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -73.79 -41.73 61.98 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.812 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -43.75 84.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 119.437 1.017 . . . . 0.0 109.448 -176.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -83.6 3.51 32.38 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.877 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -44.61 20.42 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.698 2.044 . . . . 0.0 108.427 168.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -46.19 -45.5 16.88 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.524 0.602 . . . . 0.0 110.42 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.55 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.415 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -96.62 35.49 1.5 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 120.663 1.574 . . . . 0.0 111.829 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.5 m -71.12 -53.2 15.42 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.278 1.399 . . . . 0.0 109.106 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -66.95 -48.72 67.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.569 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tp -65.67 -43.22 93.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.149 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.5 m -107.13 -57.39 2.08 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.17 1.35 . . . . 0.0 110.55 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.355 0.817 0 CA-C-N 118.99 0.814 . . . . 0.0 108.946 -179.009 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.513 -0.453 0 CA-C-O 117.452 -1.261 . . . . 0.0 108.044 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.16 69.03 0.78 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.654 1.116 . . . . 0.0 110.977 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -113.27 167.74 10.31 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.582 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.62 164.79 33.52 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 118.255 -1.303 . . . . 0.0 110.929 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -66.34 -67.06 0.48 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.282 1.541 . . . . 0.0 109.429 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -92.15 -30.86 15.73 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.3 m -54.49 -34.01 60.84 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.579 1.536 . . . . 0.0 110.237 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.4 -44.38 84.48 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.184 1.357 . . . . 0.0 109.454 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.71 -3.4 9.12 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.446 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.79 56.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.836 2.107 . . . . 0.0 109.675 174.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -83.22 8.88 11.98 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.583 -1.198 . . . . 0.0 113.907 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.2 m -58.77 -27.7 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.875 1.67 . . . . 0.0 110.516 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -43.93 -49.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.457 1.026 . . . . 0.0 108.974 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.79 -39.71 84.02 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.77 -40.33 13.38 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.003 1.274 . . . . 0.0 113.16 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.89 -70.8 0.2 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.035 1.289 . . . . 0.0 109.12 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.09 -32.66 62.16 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.876 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -39.48 73.27 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.675 0.671 . . . . 0.0 110.514 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.321 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -76.21 -31.78 58.61 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.004 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -49.87 -42.33 47.43 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.119 1.327 . . . . 0.0 109.713 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.58 -52.89 5.51 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.678 0.672 . . . . 0.0 110.566 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.85 -46.32 75.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.743 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.51 3.27 25.46 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.506 -1.712 . . . . 0.0 112.479 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -44.24 12.95 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.972 1.715 . . . . 0.0 109.591 170.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -45.02 -44.51 10.09 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.727 0.694 . . . . 0.0 110.119 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -66.33 -34.64 71.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 117.152 -1.404 . . . . 0.0 112.357 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.17 37.99 1.86 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 120.48 1.491 . . . . 0.0 111.225 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -79.99 -59.11 2.85 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.461 1.028 . . . . 0.0 109.035 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.43 -23.14 43.38 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.381 -1.295 . . . . 0.0 111.482 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -56.81 -41.66 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 121.179 1.808 . . . . 0.0 109.681 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.1 m -102.76 -54.3 2.67 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.73 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.142 0.883 . . . . 0.0 109.963 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 118.011 -0.995 . . . . 0.0 108.912 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.18 80.06 0.27 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.179 0.899 . . . . 0.0 110.5 -173.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -125.56 62.68 1.2 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.1 -173.1 13.29 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -64.05 -68.65 0.33 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.818 1.309 . . . . 0.0 109.596 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -83.81 -30.63 26.39 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.057 0.844 . . . . 0.0 110.321 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -55.08 -37.66 67.08 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.715 1.143 . . . . 0.0 109.729 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.41 -39.97 89.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.26 1.391 . . . . 0.0 109.802 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.92 -5.53 9.59 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.082 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.64 -37.41 40.52 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 121.764 2.075 . . . . 0.0 110.261 172.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -80.85 -1.19 42.22 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.564 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -55.4 -27.51 48.17 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.686 1.585 . . . . 0.0 112.051 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.8 mm -44.29 -48.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.767 1.167 . . . . 0.0 108.881 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.83 -38.95 80.19 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.726 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -47.35 -39.35 14.8 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.159 1.345 . . . . 0.0 113.138 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.59 -70.31 0.23 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.212 1.369 . . . . 0.0 109.107 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.69 63.7 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.729 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.49 70.79 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.613 0.642 . . . . 0.0 110.554 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.92 60.55 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -75.79 -33.27 60.14 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.379 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -47.33 -41.46 19.41 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 120.424 1.465 . . . . 0.0 109.732 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -86.7 -56.22 3.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.483 0.583 . . . . 0.0 110.317 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -52.47 -48.62 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.632 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -35.8 80.7 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.756 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -47.29 66.59 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.365 0.984 . . . . 0.0 112.225 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -49.24 -33.86 13.67 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.26 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.86 -49.51 34.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.49 37.81 0.41 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -101.72 -47.19 4.7 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.527 1.058 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 34.87 3.02 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.361 0.528 . . . . 0.0 110.281 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -151.36 -54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.623 -1.179 . . . . 0.0 109.296 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -88.02 -50.97 6.06 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 120.794 1.634 . . . . 0.0 109.687 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 t0 . . . . . 0 C--N 1.357 0.919 0 CA-C-N 118.961 0.801 . . . . 0.0 110.143 -173.398 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.5 t60 . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.92 93.64 2.7 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.523 1.056 . . . . 0.0 108.784 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -107.25 65.21 0.65 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.97 0.804 . . . . 0.0 109.877 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.69 -174.7 21.2 Favored Glycine 0 C--N 1.355 1.593 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.837 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -77.09 -162.63 0.29 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 72.25 12.06 5.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.925 -1.035 . . . . 0.0 111.299 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -89.02 -53.06 4.76 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.47 -37.01 79.63 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.652 1.114 . . . . 0.0 109.988 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 -10.34 59.66 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.208 -1.377 . . . . 0.0 112.384 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -33.94 65.39 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.473 1.942 . . . . 0.0 110.446 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.04 6.84 30.46 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.408 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -60.42 -23.54 64.47 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.025 1.284 . . . . 0.0 110.691 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mm -48.05 -55.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.787 1.176 . . . . 0.0 108.753 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.8 -26.14 65.93 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.835 -1.078 . . . . 0.0 111.624 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -55.4 -38.64 69.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.245 1.384 . . . . 0.0 111.097 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.12 -67.16 0.45 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.526 1.057 . . . . 0.0 108.951 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.55 -32.81 67.49 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.635 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -43.38 65.88 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.143 0.883 . . . . 0.0 109.926 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.84 -48.11 51.2 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.766 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -77.78 -34.74 52.11 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.437 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.34 -40.28 58.79 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.256 1.389 . . . . 0.0 109.172 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -50.88 24.56 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.313 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 mm -59.93 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 119.648 1.113 . . . . 0.0 109.821 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.04 5.21 8.5 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 116.545 -1.693 . . . . 0.0 113.338 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -46.66 14.23 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 122.292 2.315 . . . . 0.0 108.878 170.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.48 -44.81 17.88 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 118.455 0.57 . . . . 0.0 110.423 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.26 -37.15 79.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.257 -1.354 . . . . 0.0 111.517 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.77 41.08 1.12 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.46 1.482 . . . . 0.0 111.483 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -76.34 -62.01 1.76 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.599 1.091 . . . . 0.0 108.125 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -38.05 46.34 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.785 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tt -85.27 -42.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.7 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -100.43 -69.71 0.76 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 120.069 1.304 . . . . 0.0 108.604 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.886 1.221 . . . . 0.0 110.7 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.15 123.03 2.6 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.377 -1.297 . . . . 0.0 108.175 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.26 173.34 12.68 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.298 1.408 . . . . 0.0 107.747 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.57 -157.21 15.36 Favored Glycine 0 C--N 1.355 1.602 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -77.22 -162.18 0.27 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.187 0.993 . . . . 0.0 110.206 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 71.92 15.87 5.61 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.987 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -90.1 -54.11 4.17 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -58.52 -42.03 86.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.779 1.172 . . . . 0.0 109.793 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.11 -4.23 49.27 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 116.91 -1.519 . . . . 0.0 113.568 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -33.76 66.6 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 121.827 2.103 . . . . 0.0 109.654 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -86.63 -0.46 56.25 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.714 -1.136 . . . . 0.0 112.867 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 m -54.19 -27.65 35.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.275 1.398 . . . . 0.0 111.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 mm -43.72 -50.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 119.379 0.991 . . . . 0.0 109.11 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.22 -39.12 82.44 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.085 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.85 -38.32 10.15 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.854 1.207 . . . . 0.0 113.112 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.08 -71.95 0.17 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.234 1.379 . . . . 0.0 109.19 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.64 -34.22 57.83 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.84 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.42 78.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.704 0.684 . . . . 0.0 109.741 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.7 63.52 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.243 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -32.78 63.16 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.158 -1.401 . . . . 0.0 110.683 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -49.67 -49.74 46.3 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.9 1.682 . . . . 0.0 109.701 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -74.77 -44.04 51.71 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.488 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -43.98 63.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.316 0.962 . . . . 0.0 109.503 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.14 -10.35 59.59 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.918 -1.515 . . . . 0.0 113.013 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.82 63.43 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 122.198 2.272 . . . . 0.0 110.293 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.07 -45.73 79.24 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.944 1.247 . . . . 0.0 109.848 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.8 pt -60.12 -29.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.222 -1.37 . . . . 0.0 110.955 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.9 34.78 1.07 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.687 1.585 . . . . 0.0 111.447 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.7 m -75.15 -55.93 5.24 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.873 1.215 . . . . 0.0 108.034 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -39.62 68.8 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.828 0.74 . . . . 0.0 112.183 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 tt -82.65 -43.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.78 -172.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.6 m -100.62 -56.99 2.2 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.919 1.236 . . . . 0.0 109.182 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.354 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.83 154.75 42.18 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.562 -1.208 . . . . 0.0 110.752 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 60.67 159.2 0.04 OUTLIER 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.076 0.86 . . . . 0.0 112.313 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.49 134.81 3.39 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.618 -1.657 . . . . 0.0 110.241 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -73.33 -63.68 1.14 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.872 1.836 . . . . 0.0 107.992 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -90.46 -30.33 17.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.262 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.1 m -57.68 -36.63 72.19 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.662 1.574 . . . . 0.0 109.774 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.58 -39.17 87.08 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.468 1.486 . . . . 0.0 109.793 173.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.66 -6.09 14.18 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.2 -1.381 . . . . 0.0 112.489 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -34.07 54.91 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.847 2.112 . . . . 0.0 111.04 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.54 8.33 25.52 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.072 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -61.48 -22.27 64.94 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.186 1.357 . . . . 0.0 110.645 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -47.64 -55.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 119.937 1.244 . . . . 0.0 108.915 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.66 -28.34 66.79 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.16 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.2 -40.59 74.24 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.375 1.443 . . . . 0.0 111.956 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.56 -37.9 71.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.341 0.973 . . . . 0.0 109.372 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.02 -52.03 10.06 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.02 68.69 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.986 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -48.47 33.68 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.357 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -30.86 41.21 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.32 -1.324 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.88 -49.63 38.78 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.625 1.557 . . . . 0.0 109.59 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.22 -46.04 52.58 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.142 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -45.52 53.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 119.133 0.879 . . . . 0.0 109.837 -173.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.65 -34.23 64.86 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.035 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 -44.81 10.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.143 1.338 . . . . 0.0 110.741 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.0 mt -51.71 -46.75 64.03 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.266 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.69 -52.42 61.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-O 117.749 -1.12 . . . . 0.0 109.328 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -78.43 55.32 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.97 1.259 . . . . 0.0 111.726 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 m -120.37 -62.92 1.41 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.055 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -78.78 -45.96 19.88 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.255 0.934 . . . . 0.0 108.656 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.2 tt -63.84 -46.58 93.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.989 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 m -90.98 -53.1 4.53 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.914 1.234 . . . . 0.0 110.278 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.355 0.834 0 CA-C-N 118.753 0.706 . . . . 0.0 111.196 -178.728 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 m80 . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.775 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.92 64.96 1.66 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.144 0.884 . . . . 0.0 112.787 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -77.13 136.54 38.62 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.6 -1.191 . . . . 0.0 108.491 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.69 39.84 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -72.91 -78.71 0.09 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.459 1.129 . . . . 0.0 108.878 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.27 -28.5 61.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.674 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -45.13 43.71 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.994 1.27 . . . . 0.0 109.142 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.35 -43.54 85.76 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.858 -1.067 . . . . 0.0 111.128 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.64 -9.12 5.42 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.33 1.423 . . . . 0.0 112.66 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 99.5 mmm -55.42 -33.75 63.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 122.203 2.274 . . . . 0.0 110.106 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -89.55 23.02 2.75 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.955 1.252 . . . . 0.0 112.621 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -73.34 -20.02 60.88 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.37 1.441 . . . . 0.0 110.048 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -50.69 -55.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.965 1.257 . . . . 0.0 108.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.62 -30.77 69.57 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.297 -1.335 . . . . 0.0 110.563 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.36 -40.9 62.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.552 1.523 . . . . 0.0 110.974 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -53.84 -40.19 66.23 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.738 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.84 -48.64 20.72 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 -36.4 68.18 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.137 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.95 16.82 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.53 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -30.39 30.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 116.813 -1.565 . . . . 0.0 111.07 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -48.89 -49.03 41.72 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 121.447 1.931 . . . . 0.0 109.789 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -75.17 -42.44 55.9 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.744 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -44.57 85.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 119.849 1.204 . . . . 0.0 109.462 -176.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -81.54 3.55 24.56 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 116.407 -1.759 . . . . 0.0 112.717 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -43.69 17.92 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 122.437 2.381 . . . . 0.0 108.853 170.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -45.63 -44.92 13.58 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.654 0.661 . . . . 0.0 110.189 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.66 -35.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.054 -1.45 . . . . 0.0 111.984 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -103.22 41.42 1.26 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.697 1.589 . . . . 0.0 111.337 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.1 m -82.32 -58.61 2.86 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.219 0.918 . . . . 0.0 108.705 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.12 -29.61 57.91 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.658 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 tp -55.11 -36.79 40.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.188 1.358 . . . . 0.0 110.884 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.7 m -120.71 -56.92 1.93 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.698 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.728 1.149 . . . . 0.0 110.981 176.481 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.8 p90 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -53.83 -41.55 67.52 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.311 1.414 . . . . 0.0 110.371 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -40.03 74.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.496 1.043 . . . . 0.0 110.423 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.45 -0.05 4.54 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.651 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -42.39 86.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.083 2.22 . . . . 0.0 109.716 175.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -79.87 4.64 16.03 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.443 -1.265 . . . . 0.0 113.405 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -55.21 -28.11 50.78 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.345 1.884 . . . . 0.0 110.295 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mm -44.68 -50.09 2.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-N 119.493 1.042 . . . . 0.0 108.777 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.55 -35.18 72.97 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.508 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -48.43 -40.91 27.74 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 120.196 1.362 . . . . 0.0 112.003 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -62.74 -70.2 0.22 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.882 1.219 . . . . 0.0 109.294 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.33 63.39 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.97 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.74 67.8 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.102 0.864 . . . . 0.0 110.178 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.94 48.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.206 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -79.75 -35.85 38.14 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.308 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.59 -39.77 61.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.999 1.272 . . . . 0.0 109.327 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -57.61 3.75 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.756 0.707 . . . . 0.0 109.816 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.32 -47.02 58.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 121.068 -1.02 . . . . 0.0 109.275 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.06 -29.8 64.5 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.371 -1.299 . . . . 0.0 111.227 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -49.66 10.01 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.256 1.389 . . . . 0.0 109.481 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.2 mt -48.49 -48.82 37.76 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.908 0.755 . . . . 0.0 109.422 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -51.16 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.431 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -85.18 42.79 0.96 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.556 1.071 . . . . 0.0 112.9 -173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -102.04 -61.47 1.38 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.095 0.861 . . . . 0.0 109.25 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -80.0 -44.74 19.65 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.271 0.941 . . . . 0.0 109.262 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -63.46 -49.78 81.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.029 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 m -99.73 -51.4 3.75 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.444 1.475 . . . . 0.0 110.838 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.356 0.857 0 CA-C-O 121.841 0.829 . . . . 0.0 108.984 -177.472 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 117.544 -1.217 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 m -52.42 -40.7 62.49 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.609 1.549 . . . . 0.0 109.092 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.26 -44.4 95.33 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.724 1.147 . . . . 0.0 109.528 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.772 -1.585 . . . . 0.0 113.464 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -52.72 -34.11 51.0 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 122.949 2.613 . . . . 0.0 110.47 175.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -90.52 5.34 48.16 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 118.2 -0.905 . . . . 0.0 112.812 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -57.92 -26.05 61.7 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.189 1.359 . . . . 0.0 111.052 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -44.53 -48.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.483 1.038 . . . . 0.0 109.1 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.47 -28.4 59.22 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.401 -1.285 . . . . 0.0 111.724 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -49.23 -44.05 43.11 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.946 1.703 . . . . 0.0 112.642 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.33 -38.73 69.12 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.506 1.048 . . . . 0.0 109.676 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.97 -51.36 12.56 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.34 68.54 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.934 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.77 -49.78 37.05 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.002 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.44 -25.88 38.7 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.034 -1.46 . . . . 0.0 111.267 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.87 -51.24 58.14 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.652 2.023 . . . . 0.0 109.623 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.82 -42.7 60.51 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.827 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -41.63 81.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.443 1.02 . . . . 0.0 109.224 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.63 -2.4 50.09 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 116.889 -1.529 . . . . 0.0 112.418 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.99 36.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 121.833 2.106 . . . . 0.0 108.965 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.68 -45.52 48.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.51 0.595 . . . . 0.0 110.639 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.77 -36.04 73.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.451 -1.261 . . . . 0.0 110.763 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -95.16 32.41 1.72 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.232 1.378 . . . . 0.0 111.626 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.2 m -67.59 -57.53 6.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.469 1.486 . . . . 0.0 108.783 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -40.01 79.27 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -174.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 tt -80.23 -41.82 21.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.429 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 m -97.26 -66.22 0.92 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.873 1.215 . . . . 0.0 109.038 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 119.148 0.885 . . . . 0.0 109.994 -178.184 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -52.96 -32.25 44.98 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.296 1.407 . . . . 0.0 110.898 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.9 -44.78 60.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.9 1.227 . . . . 0.0 108.373 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -66.1 -8.19 22.15 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.44 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -55.28 -42.29 73.4 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.739 2.063 . . . . 0.0 110.751 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.7 -0.93 25.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.304 -1.331 . . . . 0.0 113.948 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.3 m -50.03 -29.0 7.86 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 121.583 1.992 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mm -43.56 -51.76 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.636 1.107 . . . . 0.0 109.287 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.45 -35.27 75.5 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 110.32 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -47.82 -40.05 20.04 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.158 1.344 . . . . 0.0 111.825 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -70.03 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.165 1.348 . . . . 0.0 109.566 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.66 -34.01 66.91 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.912 0.778 . . . . 0.0 111.756 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.71 75.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.783 0.72 . . . . 0.0 109.884 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.88 56.33 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.193 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -80.8 -30.52 35.9 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.832 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -50.24 -50.11 50.93 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.759 1.618 . . . . 0.0 109.44 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.33 -43.18 57.75 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 119.459 -0.896 . . . . 0.0 109.626 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -39.28 63.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 119.567 1.076 . . . . 0.0 109.516 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.255 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -44.55 15.54 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 121.264 1.847 . . . . 0.0 109.002 171.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -48.72 -45.77 39.85 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.542 0.61 . . . . 0.0 110.122 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 pp -61.01 -36.67 73.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.182 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -96.19 30.48 2.46 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.777 1.171 . . . . 0.0 111.724 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -64.46 -51.65 62.0 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.574 1.534 . . . . 0.0 109.201 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -60.25 3.17 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.412 1.46 . . . . 0.0 110.243 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tp -54.18 -38.95 40.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-O 117.152 -1.404 . . . . 0.0 111.713 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.7 m -104.32 -59.44 1.73 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.145 1.339 . . . . 0.0 110.463 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.833 0 CA-C-N 119.029 0.831 . . . . 0.0 109.584 179.098 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -43.89 -46.41 7.99 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 118.942 0.792 . . . . 0.0 112.191 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -62.55 -49.35 75.66 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.698 1.135 . . . . 0.0 109.205 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -72.28 -0.68 12.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.51 90.16 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.545 1.975 . . . . 0.0 107.339 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -75.94 2.67 11.94 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.926 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 m -54.47 -28.86 47.44 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.146 1.793 . . . . 0.0 111.143 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 mm -42.61 -48.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 119.364 0.984 . . . . 0.0 109.397 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -74.67 -30.11 61.47 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.403 -1.284 . . . . 0.0 111.67 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -47.23 -45.11 23.21 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.375 1.443 . . . . 0.0 112.558 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.55 -41.28 69.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.191 0.905 . . . . 0.0 109.333 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.46 -51.79 15.94 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.91 68.77 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.165 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.28 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.351 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -27.95 35.61 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.105 -1.426 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -50.64 -50.34 54.73 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.117 1.78 . . . . 0.0 109.698 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -73.79 -41.73 61.98 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.812 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -43.75 84.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 119.437 1.017 . . . . 0.0 109.448 -176.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -83.6 3.51 32.38 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.877 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -44.61 20.42 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.698 2.044 . . . . 0.0 108.427 168.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -46.19 -45.5 16.88 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.524 0.602 . . . . 0.0 110.42 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.55 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.415 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -96.62 35.49 1.5 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 120.663 1.574 . . . . 0.0 111.829 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.5 m -71.12 -53.2 15.42 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.278 1.399 . . . . 0.0 109.106 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -66.95 -48.72 67.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.569 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tp -65.67 -43.22 93.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.149 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.5 m -107.13 -57.39 2.08 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.17 1.35 . . . . 0.0 110.55 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.355 0.817 0 CA-C-N 118.99 0.814 . . . . 0.0 108.946 -179.009 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 p90 . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.3 m -54.49 -34.01 60.84 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.579 1.536 . . . . 0.0 110.237 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.4 -44.38 84.48 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.184 1.357 . . . . 0.0 109.454 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.71 -3.4 9.12 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.446 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.79 56.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.836 2.107 . . . . 0.0 109.675 174.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -83.22 8.88 11.98 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.583 -1.198 . . . . 0.0 113.907 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.2 m -58.77 -27.7 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.875 1.67 . . . . 0.0 110.516 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -43.93 -49.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.457 1.026 . . . . 0.0 108.974 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.79 -39.71 84.02 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.77 -40.33 13.38 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.003 1.274 . . . . 0.0 113.16 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.89 -70.8 0.2 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.035 1.289 . . . . 0.0 109.12 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.09 -32.66 62.16 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.876 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -39.48 73.27 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.675 0.671 . . . . 0.0 110.514 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.321 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -76.21 -31.78 58.61 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.004 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -49.87 -42.33 47.43 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.119 1.327 . . . . 0.0 109.713 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.58 -52.89 5.51 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.678 0.672 . . . . 0.0 110.566 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.85 -46.32 75.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.743 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.51 3.27 25.46 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.506 -1.712 . . . . 0.0 112.479 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -44.24 12.95 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.972 1.715 . . . . 0.0 109.591 170.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -45.02 -44.51 10.09 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.727 0.694 . . . . 0.0 110.119 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -66.33 -34.64 71.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 117.152 -1.404 . . . . 0.0 112.357 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.17 37.99 1.86 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 120.48 1.491 . . . . 0.0 111.225 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -79.99 -59.11 2.85 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.461 1.028 . . . . 0.0 109.035 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.43 -23.14 43.38 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.381 -1.295 . . . . 0.0 111.482 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -56.81 -41.66 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 121.179 1.808 . . . . 0.0 109.681 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.1 m -102.76 -54.3 2.67 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.73 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.142 0.883 . . . . 0.0 109.963 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -55.08 -37.66 67.08 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.715 1.143 . . . . 0.0 109.729 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.41 -39.97 89.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.26 1.391 . . . . 0.0 109.802 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.92 -5.53 9.59 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.082 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.64 -37.41 40.52 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 121.764 2.075 . . . . 0.0 110.261 172.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -80.85 -1.19 42.22 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.564 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -55.4 -27.51 48.17 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.686 1.585 . . . . 0.0 112.051 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.8 mm -44.29 -48.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.767 1.167 . . . . 0.0 108.881 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.83 -38.95 80.19 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.726 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -47.35 -39.35 14.8 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.159 1.345 . . . . 0.0 113.138 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.59 -70.31 0.23 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.212 1.369 . . . . 0.0 109.107 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.69 63.7 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.729 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.49 70.79 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.613 0.642 . . . . 0.0 110.554 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.92 60.55 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -75.79 -33.27 60.14 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.379 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -47.33 -41.46 19.41 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 120.424 1.465 . . . . 0.0 109.732 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -86.7 -56.22 3.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.483 0.583 . . . . 0.0 110.317 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -52.47 -48.62 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.632 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -35.8 80.7 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.756 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -47.29 66.59 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.365 0.984 . . . . 0.0 112.225 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -49.24 -33.86 13.67 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.26 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.86 -49.51 34.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.49 37.81 0.41 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -101.72 -47.19 4.7 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.527 1.058 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 34.87 3.02 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.361 0.528 . . . . 0.0 110.281 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -151.36 -54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.623 -1.179 . . . . 0.0 109.296 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -88.02 -50.97 6.06 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 120.794 1.634 . . . . 0.0 109.687 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 t0 . . . . . 0 C--N 1.357 0.919 0 CA-C-N 118.961 0.801 . . . . 0.0 110.143 -173.398 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.925 -1.035 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -89.02 -53.06 4.76 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.47 -37.01 79.63 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.652 1.114 . . . . 0.0 109.988 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 -10.34 59.66 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.208 -1.377 . . . . 0.0 112.384 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -33.94 65.39 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.473 1.942 . . . . 0.0 110.446 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.04 6.84 30.46 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.408 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -60.42 -23.54 64.47 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.025 1.284 . . . . 0.0 110.691 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mm -48.05 -55.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.787 1.176 . . . . 0.0 108.753 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.8 -26.14 65.93 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.835 -1.078 . . . . 0.0 111.624 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -55.4 -38.64 69.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.245 1.384 . . . . 0.0 111.097 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.12 -67.16 0.45 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.526 1.057 . . . . 0.0 108.951 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.55 -32.81 67.49 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.635 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -43.38 65.88 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.143 0.883 . . . . 0.0 109.926 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.84 -48.11 51.2 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.766 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -77.78 -34.74 52.11 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.437 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.34 -40.28 58.79 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.256 1.389 . . . . 0.0 109.172 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -50.88 24.56 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.313 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 mm -59.93 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 119.648 1.113 . . . . 0.0 109.821 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.04 5.21 8.5 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 116.545 -1.693 . . . . 0.0 113.338 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -46.66 14.23 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 122.292 2.315 . . . . 0.0 108.878 170.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.48 -44.81 17.88 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 118.455 0.57 . . . . 0.0 110.423 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.26 -37.15 79.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.257 -1.354 . . . . 0.0 111.517 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.77 41.08 1.12 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.46 1.482 . . . . 0.0 111.483 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -76.34 -62.01 1.76 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.599 1.091 . . . . 0.0 108.125 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -38.05 46.34 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.785 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tt -85.27 -42.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.7 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -100.43 -69.71 0.76 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 120.069 1.304 . . . . 0.0 108.604 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.886 1.221 . . . . 0.0 110.7 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -90.1 -54.11 4.17 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -58.52 -42.03 86.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.779 1.172 . . . . 0.0 109.793 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.11 -4.23 49.27 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 116.91 -1.519 . . . . 0.0 113.568 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -33.76 66.6 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 121.827 2.103 . . . . 0.0 109.654 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -86.63 -0.46 56.25 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.714 -1.136 . . . . 0.0 112.867 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 m -54.19 -27.65 35.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.275 1.398 . . . . 0.0 111.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 mm -43.72 -50.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 119.379 0.991 . . . . 0.0 109.11 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.22 -39.12 82.44 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.085 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.85 -38.32 10.15 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.854 1.207 . . . . 0.0 113.112 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.08 -71.95 0.17 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.234 1.379 . . . . 0.0 109.19 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.64 -34.22 57.83 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.84 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.42 78.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.704 0.684 . . . . 0.0 109.741 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.7 63.52 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.243 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -32.78 63.16 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.158 -1.401 . . . . 0.0 110.683 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -49.67 -49.74 46.3 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.9 1.682 . . . . 0.0 109.701 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -74.77 -44.04 51.71 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.488 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -43.98 63.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.316 0.962 . . . . 0.0 109.503 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.14 -10.35 59.59 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.918 -1.515 . . . . 0.0 113.013 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.82 63.43 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 122.198 2.272 . . . . 0.0 110.293 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.07 -45.73 79.24 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.944 1.247 . . . . 0.0 109.848 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.8 pt -60.12 -29.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.222 -1.37 . . . . 0.0 110.955 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.9 34.78 1.07 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.687 1.585 . . . . 0.0 111.447 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.7 m -75.15 -55.93 5.24 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.873 1.215 . . . . 0.0 108.034 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -39.62 68.8 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.828 0.74 . . . . 0.0 112.183 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 tt -82.65 -43.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.78 -172.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.6 m -100.62 -56.99 2.2 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.919 1.236 . . . . 0.0 109.182 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.354 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.5 p90 . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.1 m -57.68 -36.63 72.19 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.662 1.574 . . . . 0.0 109.774 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.58 -39.17 87.08 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.468 1.486 . . . . 0.0 109.793 173.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.66 -6.09 14.18 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.2 -1.381 . . . . 0.0 112.489 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -34.07 54.91 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.847 2.112 . . . . 0.0 111.04 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.54 8.33 25.52 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.072 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -61.48 -22.27 64.94 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.186 1.357 . . . . 0.0 110.645 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -47.64 -55.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 119.937 1.244 . . . . 0.0 108.915 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.66 -28.34 66.79 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.16 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.2 -40.59 74.24 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.375 1.443 . . . . 0.0 111.956 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.56 -37.9 71.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.341 0.973 . . . . 0.0 109.372 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.02 -52.03 10.06 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.02 68.69 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.986 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -48.47 33.68 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.357 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -30.86 41.21 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.32 -1.324 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.88 -49.63 38.78 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.625 1.557 . . . . 0.0 109.59 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.22 -46.04 52.58 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.142 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -45.52 53.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 119.133 0.879 . . . . 0.0 109.837 -173.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.65 -34.23 64.86 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.035 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 -44.81 10.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.143 1.338 . . . . 0.0 110.741 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.0 mt -51.71 -46.75 64.03 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.266 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.69 -52.42 61.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-O 117.749 -1.12 . . . . 0.0 109.328 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -78.43 55.32 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.97 1.259 . . . . 0.0 111.726 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 m -120.37 -62.92 1.41 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.055 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -78.78 -45.96 19.88 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.255 0.934 . . . . 0.0 108.656 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.2 tt -63.84 -46.58 93.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.989 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 m -90.98 -53.1 4.53 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.914 1.234 . . . . 0.0 110.278 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.355 0.834 0 CA-C-N 118.753 0.706 . . . . 0.0 111.196 -178.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -45.13 43.71 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.994 1.27 . . . . 0.0 109.142 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.35 -43.54 85.76 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.858 -1.067 . . . . 0.0 111.128 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.64 -9.12 5.42 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.33 1.423 . . . . 0.0 112.66 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 99.5 mmm -55.42 -33.75 63.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 122.203 2.274 . . . . 0.0 110.106 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -89.55 23.02 2.75 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.955 1.252 . . . . 0.0 112.621 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -73.34 -20.02 60.88 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.37 1.441 . . . . 0.0 110.048 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -50.69 -55.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.965 1.257 . . . . 0.0 108.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.62 -30.77 69.57 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.297 -1.335 . . . . 0.0 110.563 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.36 -40.9 62.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.552 1.523 . . . . 0.0 110.974 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -53.84 -40.19 66.23 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.738 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.84 -48.64 20.72 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 -36.4 68.18 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.137 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.95 16.82 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.53 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -30.39 30.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 116.813 -1.565 . . . . 0.0 111.07 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -48.89 -49.03 41.72 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 121.447 1.931 . . . . 0.0 109.789 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -75.17 -42.44 55.9 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.744 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -44.57 85.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 119.849 1.204 . . . . 0.0 109.462 -176.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -81.54 3.55 24.56 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 116.407 -1.759 . . . . 0.0 112.717 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -43.69 17.92 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 122.437 2.381 . . . . 0.0 108.853 170.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -45.63 -44.92 13.58 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.654 0.661 . . . . 0.0 110.189 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.66 -35.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.054 -1.45 . . . . 0.0 111.984 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -103.22 41.42 1.26 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.697 1.589 . . . . 0.0 111.337 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.1 m -82.32 -58.61 2.86 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.219 0.918 . . . . 0.0 108.705 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.12 -29.61 57.91 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.658 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 tp -55.11 -36.79 40.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.188 1.358 . . . . 0.0 110.884 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.7 m -120.71 -56.92 1.93 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.698 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.728 1.149 . . . . 0.0 110.981 176.481 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.98 168.95 13.22 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.911 -1.043 . . . . 0.0 108.252 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.45 126.07 5.09 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.253 -1.356 . . . . 0.0 110.393 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.67 165.5 11.24 Favored Glycine 0 C--N 1.356 1.649 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -63.08 -68.84 0.31 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.879 1.339 . . . . 0.0 110.265 -175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -81.05 -26.72 36.12 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.568 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -53.83 -41.55 67.52 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.311 1.414 . . . . 0.0 110.371 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -40.03 74.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.496 1.043 . . . . 0.0 110.423 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.45 -0.05 4.54 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.651 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -42.39 86.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.083 2.22 . . . . 0.0 109.716 175.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -79.87 4.64 16.03 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.443 -1.265 . . . . 0.0 113.405 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 m -55.21 -28.11 50.78 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.345 1.884 . . . . 0.0 110.295 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.1 mm -44.68 -50.09 2.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-N 119.493 1.042 . . . . 0.0 108.777 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.55 -35.18 72.97 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.508 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -48.43 -40.91 27.74 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 120.196 1.362 . . . . 0.0 112.003 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -62.74 -70.2 0.22 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.882 1.219 . . . . 0.0 109.294 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.33 63.39 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.97 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.74 67.8 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.102 0.864 . . . . 0.0 110.178 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.94 48.59 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.206 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -79.75 -35.85 38.14 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.308 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.59 -39.77 61.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.999 1.272 . . . . 0.0 109.327 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -57.61 3.75 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 118.756 0.707 . . . . 0.0 109.816 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.32 -47.02 58.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 121.068 -1.02 . . . . 0.0 109.275 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.06 -29.8 64.5 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.371 -1.299 . . . . 0.0 111.227 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -49.66 10.01 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.256 1.389 . . . . 0.0 109.481 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.2 mt -48.49 -48.82 37.76 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.908 0.755 . . . . 0.0 109.422 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -51.16 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.431 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -85.18 42.79 0.96 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.556 1.071 . . . . 0.0 112.9 -173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -102.04 -61.47 1.38 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.095 0.861 . . . . 0.0 109.25 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -80.0 -44.74 19.65 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.271 0.941 . . . . 0.0 109.262 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -63.46 -49.78 81.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.029 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 m -99.73 -51.4 3.75 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.444 1.475 . . . . 0.0 110.838 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.356 0.857 0 CA-C-O 121.841 0.829 . . . . 0.0 108.984 -177.472 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.96 84.88 2.2 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 57.54 62.69 2.06 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.164 0.438 . . . . 0.0 109.898 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.81 177.57 17.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -65.86 -72.57 0.15 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.463 1.132 . . . . 0.0 109.646 -176.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -80.88 -27.83 36.17 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.544 -1.217 . . . . 0.0 110.191 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 m -52.42 -40.7 62.49 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.609 1.549 . . . . 0.0 109.092 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.26 -44.4 95.33 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.724 1.147 . . . . 0.0 109.528 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.772 -1.585 . . . . 0.0 113.464 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -52.72 -34.11 51.0 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 122.949 2.613 . . . . 0.0 110.47 175.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -90.52 5.34 48.16 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 118.2 -0.905 . . . . 0.0 112.812 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -57.92 -26.05 61.7 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.189 1.359 . . . . 0.0 111.052 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -44.53 -48.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.483 1.038 . . . . 0.0 109.1 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.47 -28.4 59.22 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.401 -1.285 . . . . 0.0 111.724 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -49.23 -44.05 43.11 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.946 1.703 . . . . 0.0 112.642 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.33 -38.73 69.12 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.506 1.048 . . . . 0.0 109.676 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.97 -51.36 12.56 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.34 68.54 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.934 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.77 -49.78 37.05 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.002 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.44 -25.88 38.7 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.034 -1.46 . . . . 0.0 111.267 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.87 -51.24 58.14 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.652 2.023 . . . . 0.0 109.623 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.82 -42.7 60.51 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.827 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -41.63 81.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.443 1.02 . . . . 0.0 109.224 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.63 -2.4 50.09 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 116.889 -1.529 . . . . 0.0 112.418 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.99 36.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 121.833 2.106 . . . . 0.0 108.965 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.68 -45.52 48.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.51 0.595 . . . . 0.0 110.639 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.77 -36.04 73.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.451 -1.261 . . . . 0.0 110.763 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -95.16 32.41 1.72 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.232 1.378 . . . . 0.0 111.626 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.2 m -67.59 -57.53 6.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.469 1.486 . . . . 0.0 108.783 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -40.01 79.27 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -174.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 tt -80.23 -41.82 21.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.429 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 m -97.26 -66.22 0.92 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.873 1.215 . . . . 0.0 109.038 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 119.148 0.885 . . . . 0.0 109.994 -178.184 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.99 160.68 27.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.894 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.34 133.1 6.47 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.8 -147.56 8.81 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.522 -1.71 . . . . 0.0 110.376 -173.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -64.43 -71.33 0.18 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.968 1.884 . . . . 0.0 109.592 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -85.14 -32.71 22.61 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.805 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -52.96 -32.25 44.98 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.296 1.407 . . . . 0.0 110.898 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.9 -44.78 60.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.9 1.227 . . . . 0.0 108.373 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -66.1 -8.19 22.15 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.44 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -55.28 -42.29 73.4 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.739 2.063 . . . . 0.0 110.751 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.7 -0.93 25.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.304 -1.331 . . . . 0.0 113.948 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.3 m -50.03 -29.0 7.86 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 121.583 1.992 . . . . 0.0 111.259 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.9 mm -43.56 -51.76 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.636 1.107 . . . . 0.0 109.287 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.45 -35.27 75.5 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 110.32 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -47.82 -40.05 20.04 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.158 1.344 . . . . 0.0 111.825 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -70.03 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.165 1.348 . . . . 0.0 109.566 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.66 -34.01 66.91 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.912 0.778 . . . . 0.0 111.756 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.71 75.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.783 0.72 . . . . 0.0 109.884 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.55 -43.88 56.33 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.193 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -80.8 -30.52 35.9 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.832 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -50.24 -50.11 50.93 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.759 1.618 . . . . 0.0 109.44 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.33 -43.18 57.75 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 119.459 -0.896 . . . . 0.0 109.626 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -39.28 63.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 119.567 1.076 . . . . 0.0 109.516 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.255 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -44.55 15.54 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 121.264 1.847 . . . . 0.0 109.002 171.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -48.72 -45.77 39.85 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.542 0.61 . . . . 0.0 110.122 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 pp -61.01 -36.67 73.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.182 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -96.19 30.48 2.46 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.777 1.171 . . . . 0.0 111.724 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.5 m -64.46 -51.65 62.0 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.574 1.534 . . . . 0.0 109.201 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -60.25 3.17 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.412 1.46 . . . . 0.0 110.243 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tp -54.18 -38.95 40.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-O 117.152 -1.404 . . . . 0.0 111.713 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.7 m -104.32 -59.44 1.73 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.145 1.339 . . . . 0.0 110.463 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.833 0 CA-C-N 119.029 0.831 . . . . 0.0 109.584 179.098 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.1 p80 . . . . . 0 CA--C 1.512 -0.484 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.2 75.04 0.43 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.545 -0.74 . . . . 0.0 110.947 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.22 152.68 24.86 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 118.433 -0.794 . . . . 0.0 108.94 172.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.72 -176.04 20.89 Favored Glycine 0 C--N 1.356 1.686 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -63.45 -68.64 0.33 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.818 1.809 . . . . 0.0 110.068 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -76.46 -44.67 34.54 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.273 0.942 . . . . 0.0 108.593 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -43.89 -46.41 7.99 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 118.942 0.792 . . . . 0.0 112.191 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -62.55 -49.35 75.66 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.698 1.135 . . . . 0.0 109.205 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -72.28 -0.68 12.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.51 90.16 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.545 1.975 . . . . 0.0 107.339 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -75.94 2.67 11.94 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.926 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.4 m -54.47 -28.86 47.44 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.146 1.793 . . . . 0.0 111.143 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 mm -42.61 -48.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 119.364 0.984 . . . . 0.0 109.397 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.0 mt -74.67 -30.11 61.47 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.403 -1.284 . . . . 0.0 111.67 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -47.23 -45.11 23.21 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.375 1.443 . . . . 0.0 112.558 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.55 -41.28 69.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.191 0.905 . . . . 0.0 109.333 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -73.46 -51.79 15.94 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.91 68.77 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.165 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.28 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.351 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -27.95 35.61 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.105 -1.426 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -50.64 -50.34 54.73 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.117 1.78 . . . . 0.0 109.698 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -73.79 -41.73 61.98 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.812 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -43.75 84.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 119.437 1.017 . . . . 0.0 109.448 -176.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -83.6 3.51 32.38 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.877 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -44.61 20.42 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.698 2.044 . . . . 0.0 108.427 168.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -46.19 -45.5 16.88 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.524 0.602 . . . . 0.0 110.42 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.55 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.415 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -96.62 35.49 1.5 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 120.663 1.574 . . . . 0.0 111.829 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.5 m -71.12 -53.2 15.42 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.278 1.399 . . . . 0.0 109.106 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -66.95 -48.72 67.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.569 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tp -65.67 -43.22 93.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.247 -1.358 . . . . 0.0 111.149 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.5 m -107.13 -57.39 2.08 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.17 1.35 . . . . 0.0 110.55 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.355 0.817 0 CA-C-N 118.99 0.814 . . . . 0.0 108.946 -179.009 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.3 m170 . . . . . 0 CA--C 1.513 -0.453 0 CA-C-O 117.452 -1.261 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.16 69.03 0.78 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.654 1.116 . . . . 0.0 110.977 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -113.27 167.74 10.31 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.582 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.62 164.79 33.52 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 118.255 -1.303 . . . . 0.0 110.929 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -66.34 -67.06 0.48 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.282 1.541 . . . . 0.0 109.429 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -92.15 -30.86 15.73 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.3 m -54.49 -34.01 60.84 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.579 1.536 . . . . 0.0 110.237 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.4 -44.38 84.48 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.184 1.357 . . . . 0.0 109.454 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.71 -3.4 9.12 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.446 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.79 56.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.836 2.107 . . . . 0.0 109.675 174.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -83.22 8.88 11.98 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.583 -1.198 . . . . 0.0 113.907 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.2 m -58.77 -27.7 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.875 1.67 . . . . 0.0 110.516 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -43.93 -49.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.457 1.026 . . . . 0.0 108.974 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.79 -39.71 84.02 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.77 -40.33 13.38 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.003 1.274 . . . . 0.0 113.16 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.89 -70.8 0.2 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.035 1.289 . . . . 0.0 109.12 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.09 -32.66 62.16 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.876 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -39.48 73.27 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.675 0.671 . . . . 0.0 110.514 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.321 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -76.21 -31.78 58.61 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.004 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -49.87 -42.33 47.43 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.119 1.327 . . . . 0.0 109.713 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.58 -52.89 5.51 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.678 0.672 . . . . 0.0 110.566 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.85 -46.32 75.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.743 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.51 3.27 25.46 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.506 -1.712 . . . . 0.0 112.479 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -44.24 12.95 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.972 1.715 . . . . 0.0 109.591 170.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -45.02 -44.51 10.09 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.727 0.694 . . . . 0.0 110.119 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -66.33 -34.64 71.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 117.152 -1.404 . . . . 0.0 112.357 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.17 37.99 1.86 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 120.48 1.491 . . . . 0.0 111.225 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -79.99 -59.11 2.85 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.461 1.028 . . . . 0.0 109.035 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.43 -23.14 43.38 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.381 -1.295 . . . . 0.0 111.482 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -56.81 -41.66 76.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 121.179 1.808 . . . . 0.0 109.681 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.1 m -102.76 -54.3 2.67 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.73 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.142 0.883 . . . . 0.0 109.963 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.7 m170 . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 118.011 -0.995 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.18 80.06 0.27 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.179 0.899 . . . . 0.0 110.5 -173.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -125.56 62.68 1.2 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.1 -173.1 13.29 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -64.05 -68.65 0.33 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.818 1.309 . . . . 0.0 109.596 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -83.81 -30.63 26.39 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.057 0.844 . . . . 0.0 110.321 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -55.08 -37.66 67.08 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.715 1.143 . . . . 0.0 109.729 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.41 -39.97 89.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.26 1.391 . . . . 0.0 109.802 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.92 -5.53 9.59 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.082 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.64 -37.41 40.52 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 121.764 2.075 . . . . 0.0 110.261 172.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -80.85 -1.19 42.22 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.564 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -55.4 -27.51 48.17 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.686 1.585 . . . . 0.0 112.051 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.8 mm -44.29 -48.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.767 1.167 . . . . 0.0 108.881 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.83 -38.95 80.19 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.726 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -47.35 -39.35 14.8 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.159 1.345 . . . . 0.0 113.138 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.59 -70.31 0.23 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.212 1.369 . . . . 0.0 109.107 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.78 -32.69 63.7 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.729 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.49 70.79 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.613 0.642 . . . . 0.0 110.554 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.92 60.55 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -75.79 -33.27 60.14 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.379 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -47.33 -41.46 19.41 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 120.424 1.465 . . . . 0.0 109.732 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -86.7 -56.22 3.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.483 0.583 . . . . 0.0 110.317 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -52.47 -48.62 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.632 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -35.8 80.7 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.756 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -47.29 66.59 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.365 0.984 . . . . 0.0 112.225 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -49.24 -33.86 13.67 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.26 -174.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.86 -49.51 34.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.49 37.81 0.41 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -101.72 -47.19 4.7 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.527 1.058 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 34.87 3.02 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.361 0.528 . . . . 0.0 110.281 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -151.36 -54.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.623 -1.179 . . . . 0.0 109.296 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -88.02 -50.97 6.06 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 120.794 1.634 . . . . 0.0 109.687 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 t0 . . . . . 0 C--N 1.357 0.919 0 CA-C-N 118.961 0.801 . . . . 0.0 110.143 -173.398 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.5 t60 . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.92 93.64 2.7 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.523 1.056 . . . . 0.0 108.784 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -107.25 65.21 0.65 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.97 0.804 . . . . 0.0 109.877 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.69 -174.7 21.2 Favored Glycine 0 C--N 1.355 1.593 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.837 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -77.09 -162.63 0.29 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 72.25 12.06 5.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.925 -1.035 . . . . 0.0 111.299 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -89.02 -53.06 4.76 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.47 -37.01 79.63 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.652 1.114 . . . . 0.0 109.988 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.43 -10.34 59.66 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.208 -1.377 . . . . 0.0 112.384 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -33.94 65.39 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.473 1.942 . . . . 0.0 110.446 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -87.04 6.84 30.46 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.408 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -60.42 -23.54 64.47 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.025 1.284 . . . . 0.0 110.691 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mm -48.05 -55.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.787 1.176 . . . . 0.0 108.753 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.8 -26.14 65.93 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.835 -1.078 . . . . 0.0 111.624 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -55.4 -38.64 69.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.245 1.384 . . . . 0.0 111.097 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.12 -67.16 0.45 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.526 1.057 . . . . 0.0 108.951 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.55 -32.81 67.49 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.635 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -43.38 65.88 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.143 0.883 . . . . 0.0 109.926 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.84 -48.11 51.2 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.766 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -77.78 -34.74 52.11 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.437 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.34 -40.28 58.79 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.256 1.389 . . . . 0.0 109.172 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -50.88 24.56 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.313 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 mm -59.93 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 119.648 1.113 . . . . 0.0 109.821 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.04 5.21 8.5 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 116.545 -1.693 . . . . 0.0 113.338 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -46.66 14.23 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 122.292 2.315 . . . . 0.0 108.878 170.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.48 -44.81 17.88 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 118.455 0.57 . . . . 0.0 110.423 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.26 -37.15 79.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.257 -1.354 . . . . 0.0 111.517 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -96.77 41.08 1.12 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.46 1.482 . . . . 0.0 111.483 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -76.34 -62.01 1.76 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.599 1.091 . . . . 0.0 108.125 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -38.05 46.34 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.692 -0.67 . . . . 0.0 112.785 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tt -85.27 -42.49 16.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.494 -1.241 . . . . 0.0 110.7 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 m -100.43 -69.71 0.76 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 120.069 1.304 . . . . 0.0 108.604 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.886 1.221 . . . . 0.0 110.7 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.15 123.03 2.6 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.377 -1.297 . . . . 0.0 108.175 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -79.26 173.34 12.68 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.298 1.408 . . . . 0.0 107.747 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.57 -157.21 15.36 Favored Glycine 0 C--N 1.355 1.602 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -77.22 -162.18 0.27 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.187 0.993 . . . . 0.0 110.206 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 71.92 15.87 5.61 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.987 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -90.1 -54.11 4.17 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -58.52 -42.03 86.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.779 1.172 . . . . 0.0 109.793 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.11 -4.23 49.27 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 116.91 -1.519 . . . . 0.0 113.568 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -33.76 66.6 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 121.827 2.103 . . . . 0.0 109.654 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -86.63 -0.46 56.25 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.714 -1.136 . . . . 0.0 112.867 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 m -54.19 -27.65 35.51 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.275 1.398 . . . . 0.0 111.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 mm -43.72 -50.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-N 119.379 0.991 . . . . 0.0 109.11 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.22 -39.12 82.44 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.085 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.85 -38.32 10.15 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.854 1.207 . . . . 0.0 113.112 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.08 -71.95 0.17 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.234 1.379 . . . . 0.0 109.19 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.64 -34.22 57.83 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.84 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.42 78.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.704 0.684 . . . . 0.0 109.741 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.7 63.52 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.243 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -32.78 63.16 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.158 -1.401 . . . . 0.0 110.683 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -49.67 -49.74 46.3 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.9 1.682 . . . . 0.0 109.701 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -74.77 -44.04 51.71 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.488 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -43.98 63.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.316 0.962 . . . . 0.0 109.503 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -78.14 -10.35 59.59 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.918 -1.515 . . . . 0.0 113.013 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.82 63.43 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 122.198 2.272 . . . . 0.0 110.293 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.07 -45.73 79.24 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.944 1.247 . . . . 0.0 109.848 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.8 pt -60.12 -29.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.222 -1.37 . . . . 0.0 110.955 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.9 34.78 1.07 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.687 1.585 . . . . 0.0 111.447 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.7 m -75.15 -55.93 5.24 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.873 1.215 . . . . 0.0 108.034 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -39.62 68.8 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.828 0.74 . . . . 0.0 112.183 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 tt -82.65 -43.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.78 -172.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.6 m -100.62 -56.99 2.2 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.919 1.236 . . . . 0.0 109.182 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.354 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.83 154.75 42.18 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.562 -1.208 . . . . 0.0 110.752 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 60.67 159.2 0.04 OUTLIER 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.076 0.86 . . . . 0.0 112.313 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.49 134.81 3.39 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.618 -1.657 . . . . 0.0 110.241 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -73.33 -63.68 1.14 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.872 1.836 . . . . 0.0 107.992 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -90.46 -30.33 17.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.262 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.1 m -57.68 -36.63 72.19 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.662 1.574 . . . . 0.0 109.774 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.58 -39.17 87.08 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.468 1.486 . . . . 0.0 109.793 173.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.66 -6.09 14.18 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.2 -1.381 . . . . 0.0 112.489 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -34.07 54.91 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.847 2.112 . . . . 0.0 111.04 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.54 8.33 25.52 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.072 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -61.48 -22.27 64.94 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.186 1.357 . . . . 0.0 110.645 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -47.64 -55.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 119.937 1.244 . . . . 0.0 108.915 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.66 -28.34 66.79 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.16 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -56.2 -40.59 74.24 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.375 1.443 . . . . 0.0 111.956 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.56 -37.9 71.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.341 0.973 . . . . 0.0 109.372 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.02 -52.03 10.06 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.02 68.69 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.986 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -48.47 33.68 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.357 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -30.86 41.21 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.32 -1.324 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.88 -49.63 38.78 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.625 1.557 . . . . 0.0 109.59 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -73.22 -46.04 52.58 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.142 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -45.52 53.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 119.133 0.879 . . . . 0.0 109.837 -173.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.65 -34.23 64.86 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.498 -1.239 . . . . 0.0 111.035 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 -44.81 10.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.143 1.338 . . . . 0.0 110.741 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.0 mt -51.71 -46.75 64.03 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.266 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.7 mm -60.69 -52.42 61.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-O 117.749 -1.12 . . . . 0.0 109.328 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -78.43 55.32 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.97 1.259 . . . . 0.0 111.726 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 m -120.37 -62.92 1.41 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.055 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -78.78 -45.96 19.88 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.255 0.934 . . . . 0.0 108.656 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.2 tt -63.84 -46.58 93.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.989 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 m -90.98 -53.1 4.53 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.914 1.234 . . . . 0.0 110.278 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.355 0.834 0 CA-C-N 118.753 0.706 . . . . 0.0 111.196 -178.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 m80 . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.775 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.92 64.96 1.66 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.144 0.884 . . . . 0.0 112.787 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -77.13 136.54 38.62 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.6 -1.191 . . . . 0.0 108.491 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.69 39.84 Favored Glycine 0 C--N 1.357 1.734 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -72.91 -78.71 0.09 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.459 1.129 . . . . 0.0 108.878 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.27 -28.5 61.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.674 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -45.13 43.71 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.994 1.27 . . . . 0.0 109.142 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.35 -43.54 85.76 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.858 -1.067 . . . . 0.0 111.128 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.64 -9.12 5.42 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.33 1.423 . . . . 0.0 112.66 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 99.5 mmm -55.42 -33.75 63.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 122.203 2.274 . . . . 0.0 110.106 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -89.55 23.02 2.75 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.955 1.252 . . . . 0.0 112.621 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -73.34 -20.02 60.88 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.37 1.441 . . . . 0.0 110.048 173.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -50.69 -55.51 6.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.965 1.257 . . . . 0.0 108.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.62 -30.77 69.57 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.297 -1.335 . . . . 0.0 110.563 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.36 -40.9 62.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.552 1.523 . . . . 0.0 110.974 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -53.84 -40.19 66.23 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.738 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.84 -48.64 20.72 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 -36.4 68.18 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 118.759 -0.638 . . . . 0.0 111.137 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.01 -46.95 16.82 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.53 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -30.39 30.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 116.813 -1.565 . . . . 0.0 111.07 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -48.89 -49.03 41.72 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 121.447 1.931 . . . . 0.0 109.789 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -75.17 -42.44 55.9 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.744 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -44.57 85.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 119.849 1.204 . . . . 0.0 109.462 -176.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -81.54 3.55 24.56 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 116.407 -1.759 . . . . 0.0 112.717 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -43.69 17.92 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 122.437 2.381 . . . . 0.0 108.853 170.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -45.63 -44.92 13.58 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.654 0.661 . . . . 0.0 110.189 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.66 -35.26 74.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.054 -1.45 . . . . 0.0 111.984 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -103.22 41.42 1.26 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.697 1.589 . . . . 0.0 111.337 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.1 m -82.32 -58.61 2.86 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.219 0.918 . . . . 0.0 108.705 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.12 -29.61 57.91 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.658 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 tp -55.11 -36.79 40.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.188 1.358 . . . . 0.0 110.884 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.7 m -120.71 -56.92 1.93 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.698 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.728 1.149 . . . . 0.0 110.981 176.481 . . . . . . . . 0 0 . 1 stop_ save_