data_2b4n_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 2b4n _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 ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.572 -0.728 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.7 mtp -65.7 -43.91 87.73 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 173.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.55 -45.01 81.46 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.69 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.53 -41.61 94.82 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.48 -46.59 96.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -52.89 -45.14 67.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.357 0.981 . . . . 0.0 110.011 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -59.86 -48.12 82.98 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.888 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.58 -37.73 73.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.54 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.92 -45.25 86.83 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.099 0.863 . . . . 0.0 108.752 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -64.48 -37.79 88.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.385 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.06 -52.7 47.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 119.792 1.178 . . . . 0.0 108.283 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -53.35 -49.43 67.13 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.719 1.145 . . . . 0.0 110.349 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -49.6 -49.42 46.81 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.915 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.11 -52.21 66.68 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.934 -1.031 . . . . 0.0 108.487 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.354 0.761 0 CA-C-N 119.389 0.995 . . . . 0.0 109.679 -177.063 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -43.85 67.89 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 174.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -49.84 -44.3 49.4 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.105 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.92 -49.0 72.36 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 119.309 0.959 . . . . 0.0 109.249 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.81 -41.84 83.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 108.772 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.43 -40.46 91.18 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.495 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -65.48 -44.28 87.61 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.87 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -56.89 -41.78 78.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.477 1.035 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -60.36 -43.94 96.05 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.289 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -63.49 -41.12 98.57 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.168 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.66 -50.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.01 -48.16 67.74 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.701 0.682 . . . . 0.0 109.63 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -56.73 -51.9 67.05 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.815 -0.612 . . . . 0.0 109.968 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.05 -42.03 79.79 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.289 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.352 0.677 0 CA-C-N 119.926 1.239 . . . . 0.0 109.086 -179.231 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -66.52 -43.46 85.16 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.18 -44.37 42.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.579 0.627 . . . . 0.0 110.642 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.53 -42.31 98.63 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.251 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.76 -47.1 90.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -53.42 -43.92 68.37 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.917 0.78 . . . . 0.0 109.825 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -60.27 -42.87 96.3 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.182 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.78 -42.32 68.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.133 0.879 . . . . 0.0 109.871 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.04 -44.8 75.03 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.59 1.087 . . . . 0.0 109.91 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.068 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.86 -46.23 87.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 119.56 1.073 . . . . 0.0 108.176 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.9 -47.71 76.93 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.055 0.843 . . . . 0.0 109.563 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.51 -48.57 68.89 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.315 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.04 -48.35 82.08 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 119.406 -0.918 . . . . 0.0 109.176 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.351 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 109.514 -178.52 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -72.71 -50.89 21.81 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.44 -40.39 86.65 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -53.81 -50.48 66.03 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.73 -41.74 91.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.24 -42.54 69.98 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.305 0.957 . . . . 0.0 109.414 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.49 -37.5 80.16 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.168 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -51.46 -37.02 46.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.147 1.34 . . . . 0.0 110.062 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -52.24 -44.62 64.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.597 1.09 . . . . 0.0 109.88 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -56.59 -39.04 72.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -54.88 -49.79 67.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 119.673 1.124 . . . . 0.0 108.394 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -58.07 -52.58 64.95 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.767 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -50.34 -46.58 55.83 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.827 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.9 -54.17 30.03 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.353 0.723 0 CA-C-N 119.498 1.045 . . . . 0.0 109.335 -179.782 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.93 -46.95 82.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -48.43 76.37 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.231 176.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.2 -43.12 64.05 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.873 0.76 . . . . 0.0 110.295 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.37 -46.36 95.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -54.66 -41.2 69.86 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.155 0.889 . . . . 0.0 110.077 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.87 -45.14 95.06 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -53.56 -37.17 62.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.75 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -46.96 76.18 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.063 1.301 . . . . 0.0 109.578 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -62.37 -39.45 93.2 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.519 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.45 -47.64 84.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -55.38 -48.3 74.51 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.861 0.755 . . . . 0.0 109.725 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -55.4 -51.2 67.61 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.027 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.84 -49.97 75.72 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.111 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.352 0.693 0 CA-C-N 118.746 0.703 . . . . 0.0 109.81 -179.105 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 51.1 ttm -58.59 -50.46 73.72 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.89 -47.08 74.74 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -48.36 -44.74 34.77 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.54 1.064 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.84 -44.62 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.628 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -57.16 -46.71 82.52 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.972 0.806 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -57.11 -45.61 83.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.672 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.04 -41.06 77.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.567 1.076 . . . . 0.0 109.892 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.27 -43.95 88.17 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.313 0.96 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.74 -37.57 88.04 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.866 -1.064 . . . . 0.0 108.936 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.41 -48.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.123 1.329 . . . . 0.0 107.879 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.57 -50.36 63.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.526 1.057 . . . . 0.0 110.112 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -56.18 -48.5 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.42 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.15 -45.53 92.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.171 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.352 0.703 0 CA-C-N 119.375 0.989 . . . . 0.0 108.44 178.61 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 69.6 mtm -64.07 -46.0 86.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.35 -44.14 75.67 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.041 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.2 -38.05 85.18 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.975 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.99 -47.24 88.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -53.48 -43.17 67.97 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.294 0.952 . . . . 0.0 110.156 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -61.84 -43.79 98.13 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -54.91 -42.62 72.41 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.933 0.788 . . . . 0.0 109.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.33 -45.14 76.38 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.2 0.909 . . . . 0.0 109.797 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.71 -38.08 89.79 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.081 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.0 t -58.21 -47.61 86.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 119.784 1.175 . . . . 0.0 108.126 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.82 -48.94 72.17 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.505 1.048 . . . . 0.0 109.961 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -51.96 -50.04 62.0 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.051 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.95 -44.84 96.7 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.83 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.353 0.731 0 CA-C-N 119.362 0.983 . . . . 0.0 108.768 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -61.58 -46.73 88.62 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.75 -44.63 77.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.885 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.62 -45.48 89.12 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.692 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.25 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -59.53 -39.55 84.28 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.348 0.976 . . . . 0.0 109.078 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.59 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -56.54 -41.88 77.54 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 118.65 -0.691 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.05 -44.13 67.2 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 119.28 0.945 . . . . 0.0 109.392 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -64.38 -40.47 95.88 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.885 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.53 -51.93 45.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 119.888 1.222 . . . . 0.0 108.039 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -55.24 -50.0 70.57 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.878 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.49 -51.81 61.59 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.512 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -46.41 87.08 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.494 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.352 0.715 0 CA-C-N 119.032 0.833 . . . . 0.0 109.93 -177.636 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -57.52 -51.35 69.81 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.0 -46.68 71.81 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.922 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.39 -45.53 69.32 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.927 0.785 . . . . 0.0 109.706 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.69 -46.66 91.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -53.97 -42.52 69.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.302 0.956 . . . . 0.0 110.422 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.61 -40.82 88.79 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.122 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -55.99 -39.46 71.87 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.446 1.021 . . . . 0.0 109.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.79 -47.2 80.72 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.595 1.088 . . . . 0.0 109.449 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.605 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.2 -54.26 34.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -53.32 -50.77 64.27 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.014 0.824 . . . . 0.0 110.566 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -46.35 -50.28 16.6 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.303 0.501 . . . . 0.0 110.755 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.7 -49.47 68.41 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 119.659 -0.817 . . . . 0.0 109.715 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.353 0.738 0 CA-C-N 118.827 0.739 . . . . 0.0 110.372 -175.534 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.46 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.7 ttm -61.92 -48.77 78.94 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.54 -45.83 80.97 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.058 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -57.77 -45.52 85.84 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.27 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.05 -46.98 86.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -53.9 -41.29 67.46 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.43 -44.27 87.86 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.49 -37.22 62.52 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.476 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.89 -42.99 63.13 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.054 1.297 . . . . 0.0 109.892 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.215 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.95 -50.68 67.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -54.28 -47.55 72.21 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.968 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.24 -52.51 64.2 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.121 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.31 -42.79 82.5 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.795 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.352 0.697 0 CA-C-N 119.067 0.849 . . . . 0.0 109.392 179.559 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.8 tpp -59.15 -47.39 85.47 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.761 1.164 . . . . 0.0 107.888 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -55.02 -52.99 61.44 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -50.56 -43.3 56.24 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.14 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mm -56.09 -42.12 71.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.747 1.158 . . . . 0.0 108.834 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -55.39 -46.43 76.57 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.019 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -61.42 -45.78 92.89 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.125 -0.94 . . . . 0.0 108.788 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.8 -40.39 66.3 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.491 1.041 . . . . 0.0 110.123 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -59.13 -46.76 87.5 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.22 0.918 . . . . 0.0 109.65 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -63.49 -38.78 92.44 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.591 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.28 -49.23 84.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -53.05 -49.22 66.79 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.159 0.89 . . . . 0.0 109.76 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -53.35 -52.16 60.13 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.208 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.4 -46.42 86.43 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.489 -0.885 . . . . 0.0 109.379 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.351 0.657 0 CA-C-N 118.966 0.803 . . . . 0.0 109.515 -179.715 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.47 -49.56 64.44 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.225 173.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.9 -43.68 77.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.183 0.901 . . . . 0.0 110.193 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.59 -39.93 84.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 119.18 0.9 . . . . 0.0 108.706 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.67 -38.79 89.07 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.302 0.955 . . . . 0.0 109.186 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.68 -48.26 80.1 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.96 -43.77 66.63 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.256 0.935 . . . . 0.0 109.776 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.16 -45.21 93.83 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.236 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -57.54 -38.83 75.37 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.916 0.78 . . . . 0.0 110.615 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.44 -34.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -46.55 -43.41 17.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.017 1.281 . . . . 0.0 110.647 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.6 t90 -60.26 -48.87 79.9 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.933 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.29 -30.39 69.44 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.177 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.355 0.838 0 CA-C-N 120.169 1.35 . . . . 0.0 110.936 -179.533 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -69.79 -46.2 66.25 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -43.48 44.94 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.058 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -58.53 -46.32 87.04 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.333 0.969 . . . . 0.0 108.966 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.42 -43.62 82.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 119.576 1.08 . . . . 0.0 108.665 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -61.77 -39.55 92.06 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.802 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -64.68 -49.14 72.12 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.96 -42.18 62.68 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.568 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.36 -46.9 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.378 0.99 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -65.38 -38.8 91.11 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.759 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.5 -46.48 95.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.06 -50.02 70.18 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 109.058 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -52.56 -51.47 59.57 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.197 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.95 -54.15 48.47 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.681 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.352 0.684 0 CA-C-N 119.37 0.986 . . . . 0.0 109.607 -177.313 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.996 -0.526 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.475 ' SD ' ' CE1' ' A' ' 18' ' ' HIS . 13.1 tmm? -55.17 -49.53 71.64 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.415 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.19 -44.78 79.73 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -56.64 -42.17 78.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.016 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mm -61.95 -45.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' CE1' ' SD ' ' A' ' 14' ' ' MET . 33.2 m170 -60.21 -43.14 96.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.446 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.6 -42.51 96.91 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.062 0.847 . . . . 0.0 109.041 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -58.28 -39.66 79.87 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.381 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.43 -41.99 77.34 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.44 1.018 . . . . 0.0 110.202 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -61.61 -37.32 83.52 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.318 0.963 . . . . 0.0 109.757 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.53 -47.62 90.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 119.883 1.22 . . . . 0.0 107.957 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.1 -46.01 86.25 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.739 0.7 . . . . 0.0 110.246 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -50.79 -43.71 58.7 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.406 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.92 40.44 1.1 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.274 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--N 1.355 0.827 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 175.235 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -43.47 71.82 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -47.45 77.02 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.16 -41.81 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.952 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.16 -50.92 78.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.45 -42.05 61.29 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.895 0.77 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 mp0 -59.91 -53.71 54.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.796 -1.097 . . . . 0.0 109.258 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.71 69.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.471 1.487 . . . . 0.0 110.872 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.42 -43.32 99.08 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.034 1.288 . . . . 0.0 108.657 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -33.26 75.51 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.562 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.95 -46.1 97.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.589 1.541 . . . . 0.0 107.622 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -56.44 -45.99 80.54 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.147 0.885 . . . . 0.0 109.8 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.31 -50.82 64.16 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.736 0.698 . . . . 0.0 109.742 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.3 -2.87 40.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.049 -1.453 . . . . 0.0 112.892 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.355 0.817 0 CA-C-N 121.071 1.759 . . . . 0.0 110.047 177.013 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.7 mmt -67.74 -47.65 68.65 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 172.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.11 -44.13 82.94 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.719 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.85 -44.52 91.01 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.659 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.67 -42.57 94.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -56.7 -44.29 81.37 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.758 1.163 . . . . 0.0 109.247 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.53 -46.98 85.66 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.466 -0.894 . . . . 0.0 108.806 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.34 -45.29 76.42 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 118.993 0.815 . . . . 0.0 109.567 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.62 -42.95 93.83 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.629 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.12 -41.73 88.89 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.654 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.35 -31.84 54.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.652 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.1 -39.35 55.93 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.867 1.667 . . . . 0.0 110.699 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -54.44 -51.35 65.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.664 1.12 . . . . 0.0 109.109 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.35 -23.21 66.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.67 -1.634 . . . . 0.0 111.884 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 C--N 1.355 0.819 0 CA-C-N 121.477 1.944 . . . . 0.0 110.316 179.483 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.437 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 89.9 mtp -79.25 -38.99 34.21 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.762 -176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -54.1 -40.06 66.93 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.904 1.229 . . . . 0.0 109.837 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.54 -43.97 93.33 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.346 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mm -62.96 -40.38 88.76 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 119.159 0.89 . . . . 0.0 108.902 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -58.26 -41.95 85.38 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -65.57 -42.68 91.51 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.195 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -51.83 -43.51 63.18 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.757 1.162 . . . . 0.0 109.903 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.51 -43.74 89.23 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.639 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.94 -39.67 94.67 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.178 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.5 -47.24 88.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -56.55 -49.99 73.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.792 0.724 . . . . 0.0 109.583 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -50.32 -53.41 28.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.119 0.418 . . . . 0.0 110.403 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.03 -56.78 17.04 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.776 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--N 1.35 0.618 0 CA-C-N 118.463 0.574 . . . . 0.0 110.395 -173.251 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.835 -0.603 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.44 -47.75 59.18 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.69 -48.78 69.19 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.066 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -54.19 -47.07 72.47 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.819 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -58.77 -40.09 78.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.427 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -60.82 -46.99 88.38 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.313 0.96 . . . . 0.0 109.868 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -61.77 -51.59 67.7 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -45.08 41.11 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.043 0.838 . . . . 0.0 110.604 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -57.6 -45.68 85.0 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.352 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -62.14 -38.21 88.1 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.74 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.16 -49.22 82.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -53.11 -49.5 66.37 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.678 1.126 . . . . 0.0 110.117 -178.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.24 -52.04 60.26 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.88 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.11 -48.12 81.17 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.254 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.351 0.656 0 CA-C-N 119.477 1.035 . . . . 0.0 109.344 -178.482 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.1 ttm -68.31 -43.06 78.48 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.63 -46.86 67.25 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.896 0.771 . . . . 0.0 109.625 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.31 -42.34 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.073 0.851 . . . . 0.0 109.798 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CE1' ' CE1' ' A' ' 22' ' ' PHE . 56.7 t-80 -55.75 -41.29 73.73 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.096 1.316 . . . . 0.0 110.158 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.77 -50.58 73.4 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -55.18 -44.96 75.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 118.705 0.684 . . . . 0.0 110.399 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.53 -44.48 76.74 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.06 0.845 . . . . 0.0 109.681 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 18' ' ' HIS . 3.5 m-85 -65.99 -37.68 86.57 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.467 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.82 -50.4 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 119.93 1.241 . . . . 0.0 107.662 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -54.54 -48.03 72.48 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.65 0.659 . . . . 0.0 109.886 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.65 -53.65 44.19 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.277 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.31 -47.43 85.44 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.258 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.351 0.663 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.551 -179.792 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.62 -45.05 92.03 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.8 -49.08 69.09 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.335 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.22 -44.75 71.94 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.182 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.08 -41.03 91.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 119.775 -0.77 . . . . 0.0 108.956 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.78 -40.18 91.63 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 119.394 0.997 . . . . 0.0 109.554 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.3 -44.56 94.64 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -45.05 74.55 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.195 0.907 . . . . 0.0 108.825 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.626 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -61.11 -38.32 85.92 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.277 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.49 -48.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -52.83 -49.44 65.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.528 1.058 . . . . 0.0 109.899 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -58.01 -49.72 75.88 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.906 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.32 -48.03 81.63 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.478 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.352 0.689 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.683 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.3 p90 . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.17 165.31 20.62 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.95 163.7 28.87 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.02 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.25 -175.52 41.06 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.189 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.2 m -65.89 -52.34 50.91 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.831 1.316 . . . . 0.0 108.416 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -62.29 -44.36 96.71 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.35 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.73 -55.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -99.07 55.52 1.01 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.466 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.55 -45.03 95.89 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 167.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -58.2 164.82 2.21 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.863 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -153.4 -62.17 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.681 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -87.87 77.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.56 -61.34 0.11 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.572 -0.728 . . . . 0.0 109.811 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.7 mtp -65.7 -43.91 87.73 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 173.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.55 -45.01 81.46 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.69 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.53 -41.61 94.82 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.48 -46.59 96.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -52.89 -45.14 67.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.357 0.981 . . . . 0.0 110.011 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -59.86 -48.12 82.98 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.888 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.58 -37.73 73.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.54 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.92 -45.25 86.83 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.099 0.863 . . . . 0.0 108.752 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -64.48 -37.79 88.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.385 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.06 -52.7 47.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 119.792 1.178 . . . . 0.0 108.283 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -53.35 -49.43 67.13 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.719 1.145 . . . . 0.0 110.349 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -49.6 -49.42 46.81 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.915 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.11 -52.21 66.68 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.934 -1.031 . . . . 0.0 108.487 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.8 mt -48.77 -47.67 41.67 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.389 0.995 . . . . 0.0 109.679 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.32 84.42 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.104 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -103.71 25.03 10.29 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.247 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -77.0 -56.2 4.79 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.806 1.639 . . . . 0.0 107.43 172.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -178.47 -57.89 0.07 OUTLIER Glycine 0 C--N 1.353 1.51 0 C-N-CA 119.333 -1.413 . . . . 0.0 112.236 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt 60.56 79.22 0.25 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 117.761 0.78 . . . . 0.0 110.739 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.84 49.51 1.21 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.242 0.474 . . . . 0.0 110.431 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.12 81.54 5.37 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -130.42 63.27 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -68.6 89.64 0.37 Allowed 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.996 -0.526 . . . . 0.0 109.656 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? 57.96 72.87 0.5 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 117.879 0.309 . . . . 0.0 110.982 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -64.42 -19.62 65.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 116.626 -1.654 . . . . 0.0 109.873 168.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 t30 69.8 91.33 0.09 Allowed 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt 63.78 70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 t -54.35 161.06 1.48 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.453 -0.785 . . . . 0.0 110.638 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 C--N 1.354 0.803 0 CA-C-N 118.417 0.553 . . . . 0.0 110.091 -177.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.49 56.33 1.22 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -114.96 166.64 11.57 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.743 0.652 . . . . 0.0 109.767 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.68 43.49 1.17 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 m -91.6 59.37 3.76 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -169.99 -56.89 0.02 OUTLIER 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.792 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.2 mt -147.09 129.32 7.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m -152.64 52.84 0.77 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.474 1.488 . . . . 0.0 109.481 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 60.65 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -65.46 -22.06 66.71 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.945 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -56.34 -44.73 80.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.576 1.534 . . . . 0.0 107.316 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.89 75.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 166.86 -53.65 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -43.85 67.89 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 174.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -49.84 -44.3 49.4 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.105 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.92 -49.0 72.36 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 119.309 0.959 . . . . 0.0 109.249 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.81 -41.84 83.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 108.772 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.43 -40.46 91.18 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.495 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -65.48 -44.28 87.61 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.87 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -56.89 -41.78 78.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.477 1.035 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -60.36 -43.94 96.05 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.289 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -63.49 -41.12 98.57 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.168 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.66 -50.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.01 -48.16 67.74 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.701 0.682 . . . . 0.0 109.63 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -56.73 -51.9 67.05 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.815 -0.612 . . . . 0.0 109.968 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.05 -42.03 79.79 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.289 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.76 -43.36 90.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.926 1.239 . . . . 0.0 109.086 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.07 86.66 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.574 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.31 -39.07 92.0 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.781 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -54.01 -41.14 67.65 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.989 0.813 . . . . 0.0 109.542 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.63 46.33 93.95 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -131.71 73.0 1.51 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -154.77 151.3 28.52 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.409 -1.282 . . . . 0.0 109.135 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -156.58 60.42 0.55 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.997 1.271 . . . . 0.0 110.723 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.588 ' C ' ' HE2' ' A' ' 38' ' ' HIS . 38.3 t70 -144.54 50.61 1.28 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -152.86 173.11 15.76 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.272 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 55.59 54.03 8.9 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.588 ' HE2' ' C ' ' A' ' 35' ' ' ASP . 87.6 m-70 -99.58 48.07 0.95 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.93 53.32 1.15 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.3 mm -82.0 148.18 5.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.5 m 54.21 62.7 2.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 C--N 1.354 0.785 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.358 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.1 p90 . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.79 159.63 0.09 Allowed 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.752 0.658 . . . . 0.0 111.424 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -169.87 170.29 7.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.932 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.51 66.42 0.1 Allowed Glycine 0 C--N 1.353 1.483 0 C-N-CA 119.511 -1.328 . . . . 0.0 111.396 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -103.87 34.04 3.18 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.26 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.612 0.642 . . . . 0.0 109.297 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -143.26 147.36 20.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p -157.5 58.19 0.5 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.473 1.488 . . . . 0.0 111.389 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.76 -38.26 90.43 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -40.64 -39.88 1.16 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.402 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -44.95 -48.04 11.37 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.608 1.095 . . . . 0.0 110.206 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -84.35 82.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.18 -55.93 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 118.199 0.454 . . . . 0.0 110.536 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -66.52 -43.46 85.16 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.18 -44.37 42.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.579 0.627 . . . . 0.0 110.642 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.53 -42.31 98.63 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.251 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.76 -47.1 90.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -53.42 -43.92 68.37 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.917 0.78 . . . . 0.0 109.825 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -60.27 -42.87 96.3 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.182 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.78 -42.32 68.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.133 0.879 . . . . 0.0 109.871 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.04 -44.8 75.03 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.59 1.087 . . . . 0.0 109.91 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.068 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.86 -46.23 87.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 119.56 1.073 . . . . 0.0 108.176 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.9 -47.71 76.93 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.055 0.843 . . . . 0.0 109.563 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.51 -48.57 68.89 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.315 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.04 -48.35 82.08 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 119.406 -0.918 . . . . 0.0 109.176 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.04 -41.89 79.49 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 109.514 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.83 86.33 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.211 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -97.35 70.58 2.31 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -155.03 -60.39 0.11 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.556 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.91 68.74 1.5 Allowed Glycine 0 C--N 1.355 1.611 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -144.53 77.23 1.53 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -156.91 53.23 0.51 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.602 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -100.71 53.51 0.86 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.24 61.54 0.15 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.419 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -157.56 127.45 6.15 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.549 -1.215 . . . . 0.0 109.835 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -150.1 58.7 0.97 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -148.4 -166.49 2.55 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.636 -1.173 . . . . 0.0 108.789 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -143.59 54.19 1.33 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.962 1.256 . . . . 0.0 109.195 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.5 mm -111.17 144.16 19.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -85.32 76.26 10.15 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.55 54.14 10.13 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.81 0.732 . . . . 0.0 109.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -157.05 152.45 26.52 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.891 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.57 166.39 32.78 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.306 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -64.76 -66.1 0.59 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -148.51 49.08 1.02 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-N 118.861 0.755 . . . . 0.0 109.581 171.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.9 mt -143.74 138.56 25.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.074 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 t -103.92 52.23 0.77 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 120.273 1.397 . . . . 0.0 108.68 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 36.98 53.92 1.16 Allowed 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.524 0.515 . . . . 0.0 112.37 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -61.21 -34.75 75.6 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.786 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.3 m -53.99 -44.29 70.71 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.028 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.4 mt -90.67 67.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.79 -56.14 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -72.71 -50.89 21.81 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.44 -40.39 86.65 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -53.81 -50.48 66.03 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.73 -41.74 91.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.24 -42.54 69.98 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.305 0.957 . . . . 0.0 109.414 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.49 -37.5 80.16 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.168 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -51.46 -37.02 46.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.147 1.34 . . . . 0.0 110.062 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -52.24 -44.62 64.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.597 1.09 . . . . 0.0 109.88 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -56.59 -39.04 72.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -54.88 -49.79 67.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 119.673 1.124 . . . . 0.0 108.394 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -58.07 -52.58 64.95 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.767 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -50.34 -46.58 55.83 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.827 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.9 -54.17 30.03 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -49.62 -46.47 49.35 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.498 1.045 . . . . 0.0 109.335 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.06 95.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.122 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -103.26 49.08 0.84 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.462 0.574 . . . . 0.0 110.723 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.3 -67.68 0.4 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.78 64.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -164.25 102.84 0.85 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.049 0.924 . . . . 0.0 108.852 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.81 163.92 14.11 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.873 -1.061 . . . . 0.0 109.76 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -137.77 51.21 1.91 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.916 0.78 . . . . 0.0 109.671 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -99.46 53.48 0.95 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -155.93 166.47 33.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.254 -172.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -136.42 58.18 1.75 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -132.42 175.84 8.94 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.191 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -84.2 62.94 7.42 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.12 0.873 . . . . 0.0 109.36 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 68.06 164.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 118.65 0.659 . . . . 0.0 110.063 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 m -73.48 93.93 2.05 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 . . . . . 0 C--N 1.355 0.806 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.164 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.8 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.99 155.1 5.43 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.133 -0.937 . . . . 0.0 111.13 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -167.86 151.13 5.95 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.063 -1.446 . . . . 0.0 109.105 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.5 -80.68 0.12 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 107.425 -2.27 . . . . 0.0 107.425 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.9 p -143.65 -77.59 0.23 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.6 -49.0 28.41 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 172.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -158.87 154.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.033 -174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 t 131.58 143.69 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.089 -1.434 . . . . 0.0 107.328 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -153.05 64.03 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.8 1.182 . . . . 0.0 110.374 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -60.65 -30.42 69.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.516 -0.873 . . . . 0.0 109.663 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -47.82 -43.39 27.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.312 0.96 . . . . 0.0 109.354 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.5 mt -88.16 70.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.58 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.93 -46.95 82.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -48.43 76.37 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.231 176.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.2 -43.12 64.05 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.873 0.76 . . . . 0.0 110.295 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.37 -46.36 95.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -54.66 -41.2 69.86 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.155 0.889 . . . . 0.0 110.077 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.87 -45.14 95.06 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -53.56 -37.17 62.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.75 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -46.96 76.18 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.063 1.301 . . . . 0.0 109.578 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -62.37 -39.45 93.2 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.519 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.45 -47.64 84.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -55.38 -48.3 74.51 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.861 0.755 . . . . 0.0 109.725 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -55.4 -51.2 67.61 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.027 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.84 -49.97 75.72 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.111 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.69 -41.52 77.47 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.746 0.703 . . . . 0.0 109.81 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.47 93.3 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.768 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -87.82 74.77 9.01 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -124.54 44.32 2.79 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.26 -70.85 1.23 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 106.559 -2.616 . . . . 0.0 106.559 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt 48.85 49.33 19.27 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 117.345 0.572 . . . . 0.0 109.512 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.65 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 3.8 ttmp? -166.68 147.99 6.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.753 -1.594 . . . . 0.0 109.353 -174.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.25 49.61 0.81 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.364 1.438 . . . . 0.0 108.307 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -169.99 57.14 0.04 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -60.64 -45.31 94.55 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp 55.93 74.56 0.38 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.594 166.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -118.84 51.75 1.09 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -159.04 58.49 0.42 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 tt -57.19 144.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-O 118.033 -0.985 . . . . 0.0 109.372 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -58.06 146.86 31.48 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.723 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 . . . . . 0 C--N 1.355 0.826 0 CA-C-N 119.415 1.007 . . . . 0.0 109.517 178.353 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.2 p90 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.86 53.67 0.71 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.34 0.518 . . . . 0.0 109.983 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.34 166.41 3.91 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.885 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.71 79.85 0.45 Allowed Glycine 0 C--N 1.355 1.614 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p 45.34 45.63 10.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.494 1.147 . . . . 0.0 108.528 -173.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -81.15 -62.62 1.61 Allowed 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -141.72 146.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 p -151.57 66.82 0.88 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -168.8 -57.71 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.489 0.493 . . . . 0.0 110.103 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -55.65 152.71 8.94 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.742 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 m -49.57 -48.1 48.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.256 0.935 . . . . 0.0 111.562 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.07 69.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 177.38 -56.91 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 51.1 ttm -58.59 -50.46 73.72 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.89 -47.08 74.74 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -48.36 -44.74 34.77 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.54 1.064 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.84 -44.62 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.628 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -57.16 -46.71 82.52 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.972 0.806 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -57.11 -45.61 83.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.672 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.04 -41.06 77.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.567 1.076 . . . . 0.0 109.892 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.27 -43.95 88.17 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.313 0.96 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.74 -37.57 88.04 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.866 -1.064 . . . . 0.0 108.936 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.41 -48.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.123 1.329 . . . . 0.0 107.879 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.57 -50.36 63.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.526 1.057 . . . . 0.0 110.112 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -56.18 -48.5 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.42 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.15 -45.53 92.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.171 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.2 -46.88 72.56 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.375 0.989 . . . . 0.0 108.44 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.65 78.32 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.201 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -130.65 61.05 1.62 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-N 119.417 1.008 . . . . 0.0 111.139 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.26 -53.04 10.57 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.04 40.87 2.68 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 118.563 -1.131 . . . . 0.0 112.209 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -147.64 68.22 1.12 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.22 -158.89 0.9 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 116.988 -1.482 . . . . 0.0 107.045 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 t30 49.58 51.67 15.99 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.997 1.726 . . . . 0.0 107.519 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.11 -179.62 3.84 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 123.985 0.803 . . . . 0.0 109.787 -172.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.4 m-90 -132.73 59.43 1.73 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -90.76 61.15 4.69 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 44.8 49.61 8.91 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -158.28 69.16 0.5 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.14 -173.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.316 14.1 tt 54.19 155.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.668 1.23 . . . . 0.0 113.479 177.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.3 p -59.22 -34.53 72.29 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.274 -1.517 . . . . 0.0 110.791 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--N 1.355 0.836 0 CA-C-N 118.853 0.751 . . . . 0.0 109.203 177.374 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.37 57.71 0.51 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.668 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.73 161.3 10.29 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.485 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.44 -74.1 0.13 Allowed Glycine 0 C--N 1.355 1.61 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 16.8 m -144.03 -72.66 0.28 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.427 ' CG ' ' O ' ' A' ' 5' ' ' THR . 37.5 m-85 -165.25 -57.8 0.03 OUTLIER 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.011 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.43 59.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.972 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 t 41.4 44.58 2.45 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.63 -60.0 2.48 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.894 -0.723 . . . . 0.0 109.924 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -72.56 -30.38 64.37 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.735 -1.126 . . . . 0.0 111.767 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -31.71 -43.0 0.06 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.57 84.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 178.69 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 69.6 mtm -64.07 -46.0 86.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.35 -44.14 75.67 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.041 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.2 -38.05 85.18 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.975 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.99 -47.24 88.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -53.48 -43.17 67.97 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.294 0.952 . . . . 0.0 110.156 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -61.84 -43.79 98.13 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -54.91 -42.62 72.41 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.933 0.788 . . . . 0.0 109.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.33 -45.14 76.38 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.2 0.909 . . . . 0.0 109.797 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.71 -38.08 89.79 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.081 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.0 t -58.21 -47.61 86.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 119.784 1.175 . . . . 0.0 108.126 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.82 -48.94 72.17 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.505 1.048 . . . . 0.0 109.961 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -51.96 -50.04 62.0 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.051 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.95 -44.84 96.7 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.83 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.04 -47.54 80.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.362 0.983 . . . . 0.0 108.768 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.61 87.51 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.742 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -104.99 56.75 0.69 Allowed 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -96.29 163.91 12.88 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.679 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.83 -72.03 1.21 Allowed Glycine 0 C--N 1.355 1.592 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -149.89 69.39 1.02 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -131.12 -179.74 5.52 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 60.6 41.25 15.64 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.404 0.547 . . . . 0.0 110.46 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.15 86.78 6.96 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -59.56 145.75 43.19 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.154 -0.926 . . . . 0.0 110.114 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.07 47.18 2.36 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -146.1 54.31 1.15 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -154.24 -173.33 4.53 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.549 -1.691 . . . . 0.0 107.651 -173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.0 tt -43.85 123.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-N 121.218 1.826 . . . . 0.0 109.563 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.1 p -87.95 -37.7 16.18 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.378 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--N 1.356 0.866 0 CA-C-N 119.624 1.102 . . . . 0.0 109.219 -179.466 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 p90 . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 118.234 -0.889 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.91 67.59 0.98 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.819 0.736 . . . . 0.0 110.63 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.98 160.3 43.01 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.14 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.96 43.31 1.67 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 m -62.25 -48.97 77.58 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -113.14 29.82 7.68 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.886 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -137.59 137.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.9 p -162.54 59.21 0.22 Allowed 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.75 1.159 . . . . 0.0 109.277 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -108.56 58.7 0.61 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -60.75 -28.18 68.51 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.665 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.5 t -42.84 -41.59 3.32 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.668 1.122 . . . . 0.0 110.268 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mm -83.7 77.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.67 -59.77 0.08 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.648 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -61.58 -46.73 88.62 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.75 -44.63 77.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.885 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.62 -45.48 89.12 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.692 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.25 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -59.53 -39.55 84.28 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.348 0.976 . . . . 0.0 109.078 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.59 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -56.54 -41.88 77.54 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 118.65 -0.691 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.05 -44.13 67.2 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 119.28 0.945 . . . . 0.0 109.392 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -64.38 -40.47 95.88 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.885 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.53 -51.93 45.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 119.888 1.222 . . . . 0.0 108.039 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -55.24 -50.0 70.57 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.878 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.49 -51.81 61.59 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.512 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -46.41 87.08 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.494 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.36 -45.44 88.2 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.032 0.833 . . . . 0.0 109.93 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.49 -39.09 60.82 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.062 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -91.09 62.11 4.75 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.192 0.451 . . . . 0.0 110.997 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -132.82 51.34 2.16 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.27 51.13 53.0 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 107.749 -2.14 . . . . 0.0 107.749 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -148.8 74.02 1.25 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -173.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -164.67 166.52 19.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.236 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.27 52.9 1.89 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 38.37 40.07 0.33 Allowed 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.642 0.589 . . . . 0.0 111.696 -177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -63.59 -30.47 71.57 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.264 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.28 83.25 0.09 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.69 -139.76 0.09 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.193 -1.86 . . . . 0.0 108.247 -176.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -78.1 74.28 4.65 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 122.166 2.257 . . . . 0.0 110.006 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.5 tt -149.02 52.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 m 69.17 141.03 0.04 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-O 118.441 -0.79 . . . . 0.0 108.974 -172.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.355 0.805 0 CA-C-N 119.52 1.055 . . . . 0.0 110.294 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 CA--C 1.511 -0.546 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.71 162.94 28.85 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.159 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.28 160.62 30.13 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.08 -57.19 0.61 Allowed Glycine 0 C--N 1.354 1.561 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.8 p -140.67 158.82 43.41 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.151 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.75 -36.68 85.1 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.111 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.6 tt -151.93 152.19 11.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.26 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.1 t -66.77 173.89 3.25 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.564 1.074 . . . . 0.0 109.188 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.1 50.49 1.02 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -70.73 159.22 34.89 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 m -42.08 -48.45 4.7 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.886 1.221 . . . . 0.0 112.305 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -85.27 76.19 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 163.8 -49.27 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -57.52 -51.35 69.81 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.0 -46.68 71.81 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.922 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.39 -45.53 69.32 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.927 0.785 . . . . 0.0 109.706 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.69 -46.66 91.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -53.97 -42.52 69.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.302 0.956 . . . . 0.0 110.422 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.61 -40.82 88.79 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.122 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -55.99 -39.46 71.87 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.446 1.021 . . . . 0.0 109.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.79 -47.2 80.72 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.595 1.088 . . . . 0.0 109.449 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.605 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.2 -54.26 34.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -53.32 -50.77 64.27 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.014 0.824 . . . . 0.0 110.566 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -46.35 -50.28 16.6 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.303 0.501 . . . . 0.0 110.755 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.7 -49.47 68.41 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 119.659 -0.817 . . . . 0.0 109.715 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.18 -41.61 75.76 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.827 0.739 . . . . 0.0 110.372 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.23 67.05 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.796 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.74 71.44 1.07 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -152.54 -66.66 0.16 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.05 47.75 0.29 Allowed Glycine 0 C--N 1.354 1.578 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.517 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 61.92 0.42 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -160.75 152.09 19.2 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.174 -1.393 . . . . 0.0 108.972 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 55.6 t-20 -114.31 59.89 0.68 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.667 1.122 . . . . 0.0 110.426 -173.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASN . 33.4 t70 22.71 87.99 0.01 OUTLIER 'General case' 0 C--N 1.355 0.845 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -55.41 162.57 1.5 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.258 0.935 . . . . 0.0 110.23 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -133.97 49.02 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -133.7 43.53 2.86 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -167.91 92.65 0.36 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.52 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 N-CA-C 105.153 -2.166 . . . . 0.0 105.153 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.5 p -87.67 160.79 17.99 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.472 1.033 . . . . 0.0 108.99 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 C--N 1.355 0.822 0 CA-C-O 121.514 0.673 . . . . 0.0 110.115 178.487 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.88 53.15 10.74 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.002 0.819 . . . . 0.0 109.598 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -160.59 153.11 20.76 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.777 -1.106 . . . . 0.0 110.141 -173.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.52 -96.99 0.09 OUTLIER Glycine 0 C--N 1.355 1.61 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.4 m 47.68 69.0 0.57 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.368 1.584 . . . . 0.0 109.314 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -155.72 -58.5 0.1 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.498 -1.239 . . . . 0.0 112.859 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.6 128.9 38.29 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t 41.42 44.68 2.5 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.54 1.064 . . . . 0.0 112.96 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.87 -49.09 18.93 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.115 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -127.46 46.43 2.54 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -172.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.0 p -77.96 -57.5 3.76 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.083 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -84.16 73.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.46 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.7 ttm -61.92 -48.77 78.94 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.54 -45.83 80.97 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.058 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -57.77 -45.52 85.84 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.27 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.05 -46.98 86.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -53.9 -41.29 67.46 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.43 -44.27 87.86 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.49 -37.22 62.52 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.476 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.89 -42.99 63.13 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.054 1.297 . . . . 0.0 109.892 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.215 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.95 -50.68 67.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -54.28 -47.55 72.21 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.968 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.24 -52.51 64.2 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.121 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.31 -42.79 82.5 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.795 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.57 -41.32 98.39 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.067 0.849 . . . . 0.0 109.392 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.73 76.63 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.224 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -101.86 82.69 2.28 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -126.08 45.86 2.55 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.19 49.07 14.86 Favored Glycine 0 C--N 1.355 1.631 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -158.81 117.6 3.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.48 -1.248 . . . . 0.0 109.5 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -164.92 147.98 8.47 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.768 1.167 . . . . 0.0 110.328 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -166.99 65.47 0.09 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.281 0.946 . . . . 0.0 108.943 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -155.47 78.12 1.0 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.746 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -45.33 -42.75 10.23 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.6 tttt 48.19 84.57 0.03 OUTLIER 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.521 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -72.15 -34.46 68.53 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.298 0.954 . . . . 0.0 109.118 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -68.56 82.88 0.27 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.845 0.748 . . . . 0.0 110.299 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.1 mt -113.35 147.59 16.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -62.45 157.88 19.09 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.863 1.211 . . . . 0.0 109.605 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.355 0.806 0 CA-C-N 118.619 0.645 . . . . 0.0 110.594 -178.676 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 117.624 -1.179 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.63 170.19 0.11 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 118.944 0.793 . . . . 0.0 111.19 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.15 175.01 11.44 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.971 0.805 . . . . 0.0 110.737 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.83 -65.35 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.4 p -128.77 64.98 1.43 Allowed 'General case' 0 C--N 1.354 0.799 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.14 -35.67 36.84 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.43 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -156.33 150.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.0 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -80.85 74.51 7.81 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.65 -62.04 0.11 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.111 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -120.22 53.54 1.08 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -118.85 35.6 4.75 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 mt -134.48 53.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.03 -71.9 0.09 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.8 tpp -59.15 -47.39 85.47 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.761 1.164 . . . . 0.0 107.888 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -55.02 -52.99 61.44 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -50.56 -43.3 56.24 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.14 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mm -56.09 -42.12 71.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.747 1.158 . . . . 0.0 108.834 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -55.39 -46.43 76.57 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.019 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -61.42 -45.78 92.89 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.125 -0.94 . . . . 0.0 108.788 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.8 -40.39 66.3 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.491 1.041 . . . . 0.0 110.123 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -59.13 -46.76 87.5 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.22 0.918 . . . . 0.0 109.65 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -63.49 -38.78 92.44 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.591 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.28 -49.23 84.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -53.05 -49.22 66.79 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.159 0.89 . . . . 0.0 109.76 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -53.35 -52.16 60.13 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.208 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.4 -46.42 86.43 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.489 -0.885 . . . . 0.0 109.379 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.25 -44.61 92.37 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.966 0.803 . . . . 0.0 109.515 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.8 66.54 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.942 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -126.64 64.69 1.27 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -83.46 -66.57 0.88 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.39 -68.27 0.98 Allowed Glycine 0 C--N 1.354 1.571 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 77.95 1.2 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt 68.81 161.85 0.2 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.21 40.2 0.69 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.792 0.724 . . . . 0.0 110.466 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.783 ' HD2' ' H ' ' A' ' 38' ' ' HIS . 24.3 t70 176.35 152.5 0.17 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.495 -1.241 . . . . 0.0 110.471 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -90.73 -71.56 0.62 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -156.32 78.14 0.94 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.292 0.951 . . . . 0.0 109.347 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.783 ' H ' ' HD2' ' A' ' 35' ' ' ASP . 63.5 m80 -131.97 54.95 1.9 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 174.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -148.7 54.01 1.0 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 tp -158.4 161.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-O 117.022 -1.466 . . . . 0.0 108.497 -170.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 t -134.92 163.79 29.06 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.135 1.334 . . . . 0.0 110.007 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 118.413 0.551 . . . . 0.0 109.529 -179.136 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 24.3 p90 . . . . . 0 CA--C 1.51 -0.568 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.4 62.14 2.84 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.13 41.55 1.34 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.314 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -74.04 0.94 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 104.814 -3.314 . . . . 0.0 104.814 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.5 p 41.0 63.81 1.12 Allowed 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -56.51 -47.98 78.17 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pp -140.8 169.1 15.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.6 m -141.03 53.12 1.58 Allowed 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 175.45 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.102 0.877 . . . . 0.0 109.543 -173.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -86.66 69.02 10.31 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -52.2 -50.71 61.38 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.342 -174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.6 mt -132.06 73.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -159.87 -58.93 0.06 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.016 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.47 -49.56 64.44 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.225 173.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.9 -43.68 77.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.183 0.901 . . . . 0.0 110.193 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.59 -39.93 84.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 119.18 0.9 . . . . 0.0 108.706 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.67 -38.79 89.07 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.302 0.955 . . . . 0.0 109.186 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.68 -48.26 80.1 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.96 -43.77 66.63 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.256 0.935 . . . . 0.0 109.776 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.16 -45.21 93.83 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.236 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -57.54 -38.83 75.37 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.916 0.78 . . . . 0.0 110.615 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.44 -34.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -46.55 -43.41 17.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.017 1.281 . . . . 0.0 110.647 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.6 t90 -60.26 -48.87 79.9 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.933 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.29 -30.39 69.44 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.177 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 tp -46.36 -39.47 10.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.169 1.35 . . . . 0.0 110.936 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.09 -45.51 8.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.409 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.29 29.6 7.69 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.855 -1.069 . . . . 0.0 112.829 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -76.88 -62.86 1.5 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.56 -103.38 1.95 Allowed Glycine 0 C--N 1.356 1.641 0 N-CA-C 107.654 -2.179 . . . . 0.0 107.654 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -160.75 151.86 18.92 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.182 1.491 . . . . 0.0 109.492 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -165.07 167.2 18.53 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.552 1.069 . . . . 0.0 110.507 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 49.05 54.29 11.16 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 123.486 0.491 . . . . 0.0 111.162 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.4 t70 48.41 72.15 0.3 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.638 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.7 m95 67.92 163.47 0.21 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.867 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HA ' ' HZ3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -125.71 64.11 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.7 m170 62.57 56.79 1.96 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.98 63.31 4.47 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.8 tt -170.59 130.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 116.544 -1.693 . . . . 0.0 107.567 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.9 p 39.93 46.92 1.8 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.417 1.462 . . . . 0.0 109.632 -175.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 . . . . . 0 C--N 1.355 0.818 0 C-N-CA 120.139 -0.625 . . . . 0.0 109.849 -174.381 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.735 -1.126 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.92 173.87 0.13 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.882 0.765 . . . . 0.0 110.697 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.96 160.49 1.97 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 118.942 0.792 . . . . 0.0 110.65 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.84 -73.0 0.04 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -109.13 54.51 0.65 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 171.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -158.34 54.66 0.45 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -164.75 150.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 117.638 -1.172 . . . . 0.0 108.704 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.4 t -59.1 157.45 10.27 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.129 1.331 . . . . 0.0 109.469 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.1 68.56 6.27 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -166.74 159.98 14.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.504 -1.712 . . . . 0.0 109.512 -174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 t 94.65 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.481 1.037 . . . . 0.0 109.328 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.7 75.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.91 -58.06 0.03 OUTLIER 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -69.79 -46.2 66.25 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -43.48 44.94 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.058 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -58.53 -46.32 87.04 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.333 0.969 . . . . 0.0 108.966 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.42 -43.62 82.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 119.576 1.08 . . . . 0.0 108.665 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -61.77 -39.55 92.06 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.802 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -64.68 -49.14 72.12 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.96 -42.18 62.68 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.568 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.36 -46.9 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.378 0.99 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -65.38 -38.8 91.11 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.759 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.5 -46.48 95.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.06 -50.02 70.18 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 109.058 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -52.56 -51.47 59.57 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.197 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.95 -54.15 48.47 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.681 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.11 -44.99 88.01 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.37 0.986 . . . . 0.0 109.607 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.95 66.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -91.09 63.13 5.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -157.45 51.78 0.46 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.712 0.687 . . . . 0.0 109.717 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.08 35.35 0.69 Allowed Glycine 0 C--N 1.355 1.587 0 CA-C-O 118.128 -1.373 . . . . 0.0 114.112 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 41.83 52.54 4.13 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.806 1.303 . . . . 0.0 110.505 -177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.68 174.61 10.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 59.34 46.56 12.46 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -164.85 88.29 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.231 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -43.79 -44.91 7.03 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.438 -0.791 . . . . 0.0 111.764 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 55.36 69.66 0.71 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.593 0.633 . . . . 0.0 111.013 174.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -136.09 45.06 2.4 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.628 0.649 . . . . 0.0 110.173 173.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 t30 41.77 73.76 0.12 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.985 -0.531 . . . . 0.0 112.022 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.11 105.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -58.5 146.39 35.57 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 110.312 -174.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.831 0 CA-C-N 119.189 0.904 . . . . 0.0 111.394 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.92 169.95 16.65 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.284 177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.71 154.5 38.78 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.82 61.5 7.3 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.118 -1.593 . . . . 0.0 109.118 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 p -64.65 -64.02 0.98 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -165.62 -73.26 0.03 OUTLIER 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.0 mt -148.05 133.67 11.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -100.77 52.33 0.86 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.871 1.668 . . . . 0.0 109.398 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -157.9 52.2 0.45 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -70.04 142.55 52.71 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.326 -0.949 . . . . 0.0 108.865 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 t -174.36 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -77.67 -48.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.59 45.92 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.416 1.007 . . . . 0.0 109.946 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.475 ' SD ' ' CE1' ' A' ' 18' ' ' HIS . 13.1 tmm? -55.17 -49.53 71.64 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.415 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.19 -44.78 79.73 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -56.64 -42.17 78.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.016 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mm -61.95 -45.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' CE1' ' SD ' ' A' ' 14' ' ' MET . 33.2 m170 -60.21 -43.14 96.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.446 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.6 -42.51 96.91 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.062 0.847 . . . . 0.0 109.041 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -58.28 -39.66 79.87 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.381 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.43 -41.99 77.34 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.44 1.018 . . . . 0.0 110.202 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -61.61 -37.32 83.52 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.318 0.963 . . . . 0.0 109.757 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.53 -47.62 90.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 119.883 1.22 . . . . 0.0 107.957 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.1 -46.01 86.25 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.739 0.7 . . . . 0.0 110.246 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -50.79 -43.71 58.7 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.406 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.92 40.44 1.1 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.274 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.7 -49.04 15.27 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.45 68.35 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.244 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -107.01 48.98 0.82 Allowed 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -71.4 -51.76 22.25 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.52 66.06 0.38 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 108.838 -1.705 . . . . 0.0 108.838 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 57.05 78.18 0.23 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -144.34 177.48 8.6 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 119.114 -0.47 . . . . 0.0 112.234 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 56.56 70.65 0.63 Allowed 'General case' 0 C--N 1.358 0.939 0 O-C-N 123.858 0.724 . . . . 0.0 109.918 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 t70 46.54 50.57 12.69 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -43.1 -53.77 4.75 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.588 -1.196 . . . . 0.0 109.575 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 39.14 40.44 0.5 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 170.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 46.29 21.73 0.13 Allowed 'General case' 0 C--N 1.353 0.751 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -177.1 124.66 0.14 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.505 -1.712 . . . . 0.0 107.683 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 tp -163.65 147.53 3.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 121.282 1.856 . . . . 0.0 110.565 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -151.36 147.88 27.45 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.371 -1.3 . . . . 0.0 108.091 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 . . . . . 0 C--N 1.354 0.775 0 CA-C-N 120.049 1.295 . . . . 0.0 109.876 -177.167 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.28 155.73 20.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.579 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -141.86 162.73 34.75 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.022 -0.989 . . . . 0.0 108.804 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.34 115.19 0.38 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-O 117.829 -1.539 . . . . 0.0 111.161 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.61 170.35 22.58 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.556 1.678 . . . . 0.0 109.119 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.37 -56.57 15.26 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.107 0.867 . . . . 0.0 109.516 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.78 113.6 37.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 10' ' ' TYR . 19.5 m -148.78 41.11 0.92 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.026 1.284 . . . . 0.0 109.755 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 58.28 -75.44 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.433 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 8' ' ' SER . 96.1 m-85 -75.88 -2.28 29.43 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.303 -1.332 . . . . 0.0 112.931 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -52.33 -40.96 62.58 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 121.291 1.859 . . . . 0.0 108.47 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.2 mt -90.86 68.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.5 -59.63 0.02 OUTLIER 'General case' 0 C--N 1.353 0.741 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -43.47 71.82 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -47.45 77.02 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.16 -41.81 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.952 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.16 -50.92 78.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.45 -42.05 61.29 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.895 0.77 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 mp0 -59.91 -53.71 54.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.796 -1.097 . . . . 0.0 109.258 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.71 69.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.471 1.487 . . . . 0.0 110.872 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.42 -43.32 99.08 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.034 1.288 . . . . 0.0 108.657 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -33.26 75.51 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.562 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.95 -46.1 97.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.589 1.541 . . . . 0.0 107.622 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -56.44 -45.99 80.54 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.147 0.885 . . . . 0.0 109.8 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.31 -50.82 64.16 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.736 0.698 . . . . 0.0 109.742 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.3 -2.87 40.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.049 -1.453 . . . . 0.0 112.892 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 tp -48.7 -41.8 32.88 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.071 1.759 . . . . 0.0 110.047 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.45 5.2 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.994 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -137.93 108.38 6.53 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.01 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -127.47 53.74 1.72 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.87 57.41 18.2 Favored Glycine 0 C--N 1.353 1.501 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.069 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.99 76.2 8.9 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 65.31 142.54 0.03 OUTLIER 'General case' 0 C--N 1.356 0.863 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -164.69 56.84 0.14 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.958 0.799 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.9 t70 52.75 70.07 0.62 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.693 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -150.23 159.27 44.56 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.039 173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt 55.27 91.11 0.03 OUTLIER 'General case' 0 C--N 1.358 0.95 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -170.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.48 74.99 0.48 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.87 0.759 . . . . 0.0 110.696 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 65.22 76.94 0.32 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 153.19 11.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.601 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -55.45 -36.97 67.13 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.01 1.277 . . . . 0.0 111.111 -174.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 . . . . . 0 C--N 1.354 0.798 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 176.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.22 -0.464 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.54 58.83 0.49 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -158.43 152.24 23.6 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.529 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 70.44 1.31 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 m -56.82 -54.69 43.55 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.69 -41.1 39.24 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.751 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.0 145.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.364 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.2 m -95.69 68.13 2.85 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.824 1.193 . . . . 0.0 108.498 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -157.91 -63.47 0.09 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.609 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -119.91 26.91 9.0 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.154 0.888 . . . . 0.0 111.721 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -71.98 -37.65 69.83 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.575 1.08 . . . . 0.0 109.259 172.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.4 mt -80.59 72.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 105.199 -2.148 . . . . 0.0 105.199 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.57 -59.69 0.02 OUTLIER 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.7 mmt -67.74 -47.65 68.65 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 172.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.11 -44.13 82.94 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.719 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.85 -44.52 91.01 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.659 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.67 -42.57 94.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -56.7 -44.29 81.37 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.758 1.163 . . . . 0.0 109.247 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.53 -46.98 85.66 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.466 -0.894 . . . . 0.0 108.806 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.34 -45.29 76.42 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 118.993 0.815 . . . . 0.0 109.567 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.62 -42.95 93.83 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.629 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.12 -41.73 88.89 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.654 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.35 -31.84 54.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.652 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.1 -39.35 55.93 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.867 1.667 . . . . 0.0 110.699 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -54.44 -51.35 65.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.664 1.12 . . . . 0.0 109.109 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.35 -23.21 66.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.67 -1.634 . . . . 0.0 111.884 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 tp -46.19 -41.37 12.61 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.477 1.944 . . . . 0.0 110.316 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.69 -52.4 62.52 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.157 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.42 76.56 4.47 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.08 -61.73 0.1 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.7 -89.38 0.07 OUTLIER Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.102 -1.388 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.8 tttt 52.11 59.83 4.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.733 1.266 . . . . 0.0 108.078 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.6 -177.6 3.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 58.07 60.06 2.85 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -144.88 60.18 1.31 Allowed 'General case' 0 C--N 1.353 0.731 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -59.19 85.76 0.01 OUTLIER 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.502 0.501 . . . . 0.0 111.507 -174.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.83 50.17 2.26 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -125.26 -154.83 0.64 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.81 162.16 33.17 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.209 1.368 . . . . 0.0 108.974 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.75 64.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -163.49 169.48 18.74 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.982 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 . . . . . 0 C--N 1.353 0.722 0 CA-C-N 118.564 0.62 . . . . 0.0 110.629 -178.008 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 p90 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.89 165.35 29.17 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.152 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 66.56 148.37 0.05 OUTLIER 'General case' 0 C--N 1.356 0.851 0 O-C-N 123.945 0.778 . . . . 0.0 110.616 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.43 61.24 0.38 Allowed Glycine 0 C--N 1.355 1.615 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.8 m -111.56 73.88 0.84 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -154.98 -62.52 0.12 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.879 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -126.37 -98.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.923 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.12 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -174.55 61.7 0.02 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-N 121.347 1.885 . . . . 0.0 108.082 -176.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -118.34 75.28 1.0 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 14' ' ' MET . 32.0 p90 -56.22 159.64 3.38 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.376 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -159.07 -61.25 0.07 Allowed 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.399 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.47 -41.53 84.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.52 -58.96 4.22 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.288 0.949 . . . . 0.0 112.022 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' CE1' ' A' ' 10' ' ' TYR . 89.9 mtp -79.25 -38.99 34.21 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.762 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -54.1 -40.06 66.93 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.904 1.229 . . . . 0.0 109.837 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.54 -43.97 93.33 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.346 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mm -62.96 -40.38 88.76 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 119.159 0.89 . . . . 0.0 108.902 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -58.26 -41.95 85.38 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -65.57 -42.68 91.51 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.195 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -51.83 -43.51 63.18 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.757 1.162 . . . . 0.0 109.903 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.51 -43.74 89.23 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.639 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.94 -39.67 94.67 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.178 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.5 -47.24 88.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -56.55 -49.99 73.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.792 0.724 . . . . 0.0 109.583 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -50.32 -53.41 28.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.119 0.418 . . . . 0.0 110.403 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.03 -56.78 17.04 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.776 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.7 -41.5 86.42 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.463 0.574 . . . . 0.0 110.395 -173.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.08 70.97 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.503 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -76.8 -22.68 53.32 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.721 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -53.05 -50.58 64.03 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 121.555 1.979 . . . . 0.0 106.689 173.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.77 163.23 11.07 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 118.651 -1.083 . . . . 0.0 112.084 170.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm 45.55 61.43 2.61 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -154.38 159.82 41.34 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.325 -1.322 . . . . 0.0 108.851 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 79.77 52.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.9 m-20 45.85 68.47 0.58 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.886 -1.054 . . . . 0.0 111.156 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -58.63 88.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.349 0.977 . . . . 0.0 109.399 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' ASP . 61.0 mttp -143.7 50.21 1.37 Allowed 'General case' 0 C--N 1.352 0.709 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 50.39 57.25 6.8 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -172.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -124.08 93.55 3.95 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.146 -169.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.9 tt 40.63 84.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 0 CA-C-N 118.496 0.589 . . . . 0.0 112.386 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 t -44.92 -37.39 3.91 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.367 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 . . . . . 0 C--N 1.356 0.856 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.143 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.9 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.27 165.92 30.5 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.314 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -164.1 164.71 22.77 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.867 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.17 55.75 28.95 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.366 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' ILE . 87.7 m -57.98 -56.92 15.78 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.895 -1.05 . . . . 0.0 108.174 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.2 t80 42.59 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.435 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 5' ' ' THR . 70.1 mt -135.3 147.83 28.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 177.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -145.98 55.6 1.18 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.536 1.516 . . . . 0.0 110.686 -173.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 39.98 52.32 2.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.654 0.596 . . . . 0.0 111.953 176.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -61.92 -30.91 71.21 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.561 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.4 m -53.04 -43.08 66.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 109.126 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.8 mt -80.33 79.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.45 -60.88 0.06 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.835 -0.603 . . . . 0.0 109.558 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.44 -47.75 59.18 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.69 -48.78 69.19 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.066 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -54.19 -47.07 72.47 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.819 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -58.77 -40.09 78.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.427 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -60.82 -46.99 88.38 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.313 0.96 . . . . 0.0 109.868 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -61.77 -51.59 67.7 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -45.08 41.11 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.043 0.838 . . . . 0.0 110.604 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -57.6 -45.68 85.0 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.352 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -62.14 -38.21 88.1 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.74 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.16 -49.22 82.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -53.11 -49.5 66.37 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.678 1.126 . . . . 0.0 110.117 -178.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.24 -52.04 60.26 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.88 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.11 -48.12 81.17 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.254 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -55.33 -44.12 75.6 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.477 1.035 . . . . 0.0 109.344 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.51 79.61 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 119.414 -0.915 . . . . 0.0 108.758 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -96.85 73.7 2.63 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -143.79 -61.05 0.4 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.582 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.68 -110.17 3.91 Favored Glycine 0 C--N 1.355 1.623 0 N-CA-C 106.551 -2.619 . . . . 0.0 106.551 -171.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -157.94 71.82 0.62 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.329 2.065 . . . . 0.0 109.96 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.664 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -109.35 -176.62 3.07 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 t30 57.6 46.62 17.33 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.17 0.895 . . . . 0.0 108.716 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -162.33 63.15 0.22 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -50.85 153.91 1.61 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.313 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.94 52.75 0.69 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.37 163.66 27.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -122.48 123.13 40.56 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.905 -1.521 . . . . 0.0 108.235 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.8 tp 35.15 66.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 119.712 1.142 . . . . 0.0 111.751 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.5 m -66.9 81.64 0.11 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 119.012 -0.518 . . . . 0.0 109.71 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 118.7 0.682 . . . . 0.0 109.997 -179.416 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.5 p90 . . . . . 0 CA--C 1.514 -0.441 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.74 158.72 23.29 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.811 1.187 . . . . 0.0 110.887 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -165.19 149.76 8.95 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.502 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.19 -65.78 0.1 Allowed Glycine 0 C--N 1.354 1.568 0 C-N-CA 119.257 -1.449 . . . . 0.0 112.255 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -164.01 172.77 13.42 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 117.935 0.868 . . . . 0.0 111.415 -174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -65.89 -43.73 87.41 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.8 tt -151.93 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.251 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -172.08 3.73 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.195 0.907 . . . . 0.0 109.108 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.68 -37.62 51.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.27 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -52.95 158.09 1.52 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.428 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -158.1 -62.17 0.08 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.574 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.4 mt -88.94 68.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.876 -2.639 . . . . 0.0 103.876 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 178.33 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -175.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.1 ttm -68.31 -43.06 78.48 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.63 -46.86 67.25 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.896 0.771 . . . . 0.0 109.625 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.31 -42.34 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.073 0.851 . . . . 0.0 109.798 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CE1' ' CE1' ' A' ' 22' ' ' PHE . 56.7 t-80 -55.75 -41.29 73.73 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.096 1.316 . . . . 0.0 110.158 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.77 -50.58 73.4 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -55.18 -44.96 75.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 118.705 0.684 . . . . 0.0 110.399 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.53 -44.48 76.74 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.06 0.845 . . . . 0.0 109.681 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 18' ' ' HIS . 3.5 m-85 -65.99 -37.68 86.57 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.467 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.82 -50.4 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 119.93 1.241 . . . . 0.0 107.662 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -54.54 -48.03 72.48 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.65 0.659 . . . . 0.0 109.886 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.65 -53.65 44.19 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.277 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.31 -47.43 85.44 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.258 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.94 -40.36 84.41 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.551 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.14 71.27 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.015 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -91.36 70.44 6.03 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -160.2 -64.73 0.07 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.95 46.65 0.49 Allowed Glycine 0 C--N 1.353 1.5 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -161.37 85.74 0.66 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -155.23 50.31 0.57 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.855 0.752 . . . . 0.0 110.636 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -88.73 71.48 8.73 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -156.95 95.04 1.48 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.498 -174.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.9 m95 52.97 69.37 0.7 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.036 0.835 . . . . 0.0 110.418 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -84.61 61.11 6.5 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 173.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -57.52 -38.34 74.49 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.58 88.53 0.14 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 168.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 pt -79.92 63.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.8 m -156.4 -60.25 0.1 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.114 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 C--N 1.357 0.903 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.109 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.97 164.99 38.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.732 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -161.46 58.02 0.28 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.38 0.536 . . . . 0.0 109.577 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.13 -70.85 0.86 Allowed Glycine 0 C--N 1.354 1.537 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.558 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.099 0.949 . . . . 0.0 110.451 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -55.37 -52.41 63.64 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.304 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 16.9 mm -89.77 -114.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 115.012 -2.423 . . . . 0.0 105.793 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -160.37 39.6 0.17 Allowed 'General case' 0 C--N 1.358 0.968 0 CA-C-N 124.137 3.153 . . . . 0.0 113.811 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 45.22 64.17 1.5 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.544 1.066 . . . . 0.0 111.273 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.51 130.95 37.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.169 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -168.42 -60.68 0.02 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.356 0.98 . . . . 0.0 110.039 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.07 84.0 2.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 101.724 -3.435 . . . . 0.0 101.724 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.3 -65.08 0.15 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.299 -176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.62 -45.05 92.03 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.8 -49.08 69.09 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.335 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.22 -44.75 71.94 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.182 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.08 -41.03 91.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 119.775 -0.77 . . . . 0.0 108.956 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.78 -40.18 91.63 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 119.394 0.997 . . . . 0.0 109.554 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.3 -44.56 94.64 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -45.05 74.55 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.195 0.907 . . . . 0.0 108.825 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.626 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -61.11 -38.32 85.92 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.277 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.49 -48.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -52.83 -49.44 65.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.528 1.058 . . . . 0.0 109.899 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -58.01 -49.72 75.88 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.906 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.32 -48.03 81.63 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.478 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.14 -44.53 83.49 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.84 87.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.626 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -122.32 65.42 0.94 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 118.693 0.679 . . . . 0.0 110.12 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -82.54 -40.31 21.14 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 168.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.97 56.17 2.25 Favored Glycine 0 C--N 1.356 1.656 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm 47.35 59.42 4.1 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 117.736 0.768 . . . . 0.0 109.298 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.26 156.18 32.06 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.01 -1.471 . . . . 0.0 108.898 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -122.21 57.25 1.08 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.081 1.31 . . . . 0.0 108.405 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t70 41.1 61.27 1.79 Allowed 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.573 0.546 . . . . 0.0 111.55 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -47.29 141.46 4.64 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.786 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.55 54.56 0.26 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.339 0.972 . . . . 0.0 110.376 -170.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.9 t60 69.96 136.35 0.04 OUTLIER 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.089 -173.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -158.36 53.49 0.44 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.739 1.154 . . . . 0.0 110.904 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 tp -153.6 53.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.0 m -74.67 -56.95 4.26 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.488 0.661 . . . . 0.0 110.433 178.266 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.572 -0.728 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.7 mtp -65.7 -43.91 87.73 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 173.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.55 -45.01 81.46 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.69 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.53 -41.61 94.82 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.48 -46.59 96.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -52.89 -45.14 67.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.357 0.981 . . . . 0.0 110.011 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -59.86 -48.12 82.98 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.888 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -57.58 -37.73 73.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.54 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.92 -45.25 86.83 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.099 0.863 . . . . 0.0 108.752 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -64.48 -37.79 88.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.385 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.06 -52.7 47.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 119.792 1.178 . . . . 0.0 108.283 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -53.35 -49.43 67.13 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.719 1.145 . . . . 0.0 110.349 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -49.6 -49.42 46.81 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.915 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.11 -52.21 66.68 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.934 -1.031 . . . . 0.0 108.487 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.354 0.761 0 CA-C-N 119.389 0.995 . . . . 0.0 109.679 -177.063 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -43.85 67.89 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 174.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -49.84 -44.3 49.4 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.105 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.92 -49.0 72.36 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 119.309 0.959 . . . . 0.0 109.249 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.81 -41.84 83.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 108.772 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.43 -40.46 91.18 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.495 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -65.48 -44.28 87.61 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.87 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -56.89 -41.78 78.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.477 1.035 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -60.36 -43.94 96.05 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.289 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -63.49 -41.12 98.57 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.168 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.66 -50.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.01 -48.16 67.74 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.701 0.682 . . . . 0.0 109.63 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -56.73 -51.9 67.05 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.815 -0.612 . . . . 0.0 109.968 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.05 -42.03 79.79 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.289 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.352 0.677 0 CA-C-N 119.926 1.239 . . . . 0.0 109.086 -179.231 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -66.52 -43.46 85.16 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.18 -44.37 42.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.579 0.627 . . . . 0.0 110.642 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.53 -42.31 98.63 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.251 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.76 -47.1 90.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -53.42 -43.92 68.37 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.917 0.78 . . . . 0.0 109.825 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -60.27 -42.87 96.3 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.182 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.78 -42.32 68.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.133 0.879 . . . . 0.0 109.871 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.04 -44.8 75.03 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.59 1.087 . . . . 0.0 109.91 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.068 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.86 -46.23 87.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 119.56 1.073 . . . . 0.0 108.176 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.9 -47.71 76.93 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.055 0.843 . . . . 0.0 109.563 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.51 -48.57 68.89 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.315 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.04 -48.35 82.08 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 119.406 -0.918 . . . . 0.0 109.176 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.351 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 109.514 -178.52 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -72.71 -50.89 21.81 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.44 -40.39 86.65 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -53.81 -50.48 66.03 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.73 -41.74 91.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.24 -42.54 69.98 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.305 0.957 . . . . 0.0 109.414 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.49 -37.5 80.16 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.168 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -51.46 -37.02 46.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.147 1.34 . . . . 0.0 110.062 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -52.24 -44.62 64.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.597 1.09 . . . . 0.0 109.88 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -56.59 -39.04 72.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -54.88 -49.79 67.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 119.673 1.124 . . . . 0.0 108.394 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -58.07 -52.58 64.95 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.767 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -50.34 -46.58 55.83 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.827 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.9 -54.17 30.03 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.353 0.723 0 CA-C-N 119.498 1.045 . . . . 0.0 109.335 -179.782 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.93 -46.95 82.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -48.43 76.37 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.231 176.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.2 -43.12 64.05 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.873 0.76 . . . . 0.0 110.295 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.37 -46.36 95.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -54.66 -41.2 69.86 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.155 0.889 . . . . 0.0 110.077 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.87 -45.14 95.06 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -53.56 -37.17 62.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.75 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -46.96 76.18 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.063 1.301 . . . . 0.0 109.578 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -62.37 -39.45 93.2 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.519 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.45 -47.64 84.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -55.38 -48.3 74.51 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.861 0.755 . . . . 0.0 109.725 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -55.4 -51.2 67.61 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.027 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.84 -49.97 75.72 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.111 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.352 0.693 0 CA-C-N 118.746 0.703 . . . . 0.0 109.81 -179.105 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 51.1 ttm -58.59 -50.46 73.72 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.89 -47.08 74.74 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -48.36 -44.74 34.77 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.54 1.064 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.84 -44.62 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.628 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -57.16 -46.71 82.52 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.972 0.806 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -57.11 -45.61 83.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.672 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.04 -41.06 77.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.567 1.076 . . . . 0.0 109.892 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.27 -43.95 88.17 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.313 0.96 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.74 -37.57 88.04 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.866 -1.064 . . . . 0.0 108.936 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.41 -48.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.123 1.329 . . . . 0.0 107.879 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.57 -50.36 63.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.526 1.057 . . . . 0.0 110.112 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -56.18 -48.5 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.42 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.15 -45.53 92.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.171 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.352 0.703 0 CA-C-N 119.375 0.989 . . . . 0.0 108.44 178.61 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 69.6 mtm -64.07 -46.0 86.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.35 -44.14 75.67 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.041 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.2 -38.05 85.18 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.975 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.99 -47.24 88.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -53.48 -43.17 67.97 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.294 0.952 . . . . 0.0 110.156 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -61.84 -43.79 98.13 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -54.91 -42.62 72.41 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.933 0.788 . . . . 0.0 109.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.33 -45.14 76.38 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.2 0.909 . . . . 0.0 109.797 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.71 -38.08 89.79 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.081 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.0 t -58.21 -47.61 86.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 119.784 1.175 . . . . 0.0 108.126 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.82 -48.94 72.17 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.505 1.048 . . . . 0.0 109.961 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -51.96 -50.04 62.0 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.051 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.95 -44.84 96.7 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.83 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.353 0.731 0 CA-C-N 119.362 0.983 . . . . 0.0 108.768 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -61.58 -46.73 88.62 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.75 -44.63 77.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.885 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.62 -45.48 89.12 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.692 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.25 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -59.53 -39.55 84.28 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.348 0.976 . . . . 0.0 109.078 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.59 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -56.54 -41.88 77.54 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 118.65 -0.691 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.05 -44.13 67.2 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 119.28 0.945 . . . . 0.0 109.392 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -64.38 -40.47 95.88 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.885 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.53 -51.93 45.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 119.888 1.222 . . . . 0.0 108.039 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -55.24 -50.0 70.57 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.878 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.49 -51.81 61.59 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.512 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -46.41 87.08 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.494 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.352 0.715 0 CA-C-N 119.032 0.833 . . . . 0.0 109.93 -177.636 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -57.52 -51.35 69.81 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.0 -46.68 71.81 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.922 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.39 -45.53 69.32 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.927 0.785 . . . . 0.0 109.706 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.69 -46.66 91.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -53.97 -42.52 69.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.302 0.956 . . . . 0.0 110.422 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.61 -40.82 88.79 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.122 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -55.99 -39.46 71.87 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.446 1.021 . . . . 0.0 109.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.79 -47.2 80.72 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.595 1.088 . . . . 0.0 109.449 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.605 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.2 -54.26 34.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -53.32 -50.77 64.27 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.014 0.824 . . . . 0.0 110.566 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -46.35 -50.28 16.6 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.303 0.501 . . . . 0.0 110.755 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.7 -49.47 68.41 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 119.659 -0.817 . . . . 0.0 109.715 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.353 0.738 0 CA-C-N 118.827 0.739 . . . . 0.0 110.372 -175.534 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.46 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.7 ttm -61.92 -48.77 78.94 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.54 -45.83 80.97 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.058 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -57.77 -45.52 85.84 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.27 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.05 -46.98 86.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -53.9 -41.29 67.46 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.43 -44.27 87.86 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.49 -37.22 62.52 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.476 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.89 -42.99 63.13 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.054 1.297 . . . . 0.0 109.892 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.215 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.95 -50.68 67.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -54.28 -47.55 72.21 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.968 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.24 -52.51 64.2 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.121 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.31 -42.79 82.5 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.795 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.352 0.697 0 CA-C-N 119.067 0.849 . . . . 0.0 109.392 179.559 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.8 tpp -59.15 -47.39 85.47 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.761 1.164 . . . . 0.0 107.888 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -55.02 -52.99 61.44 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -50.56 -43.3 56.24 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.14 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mm -56.09 -42.12 71.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.747 1.158 . . . . 0.0 108.834 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -55.39 -46.43 76.57 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.019 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -61.42 -45.78 92.89 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.125 -0.94 . . . . 0.0 108.788 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.8 -40.39 66.3 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.491 1.041 . . . . 0.0 110.123 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -59.13 -46.76 87.5 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.22 0.918 . . . . 0.0 109.65 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -63.49 -38.78 92.44 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.591 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.28 -49.23 84.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -53.05 -49.22 66.79 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.159 0.89 . . . . 0.0 109.76 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -53.35 -52.16 60.13 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.208 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.4 -46.42 86.43 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.489 -0.885 . . . . 0.0 109.379 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.351 0.657 0 CA-C-N 118.966 0.803 . . . . 0.0 109.515 -179.715 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.47 -49.56 64.44 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.225 173.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.9 -43.68 77.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.183 0.901 . . . . 0.0 110.193 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.59 -39.93 84.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 119.18 0.9 . . . . 0.0 108.706 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -61.67 -38.79 89.07 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.302 0.955 . . . . 0.0 109.186 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.68 -48.26 80.1 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.96 -43.77 66.63 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.256 0.935 . . . . 0.0 109.776 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.16 -45.21 93.83 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.236 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -57.54 -38.83 75.37 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.916 0.78 . . . . 0.0 110.615 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.44 -34.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -46.55 -43.41 17.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.017 1.281 . . . . 0.0 110.647 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.6 t90 -60.26 -48.87 79.9 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.933 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.29 -30.39 69.44 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.177 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.355 0.838 0 CA-C-N 120.169 1.35 . . . . 0.0 110.936 -179.533 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -69.79 -46.2 66.25 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -43.48 44.94 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.058 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -58.53 -46.32 87.04 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.333 0.969 . . . . 0.0 108.966 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.42 -43.62 82.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 119.576 1.08 . . . . 0.0 108.665 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -61.77 -39.55 92.06 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.802 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -64.68 -49.14 72.12 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.96 -42.18 62.68 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.568 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.36 -46.9 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.378 0.99 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -65.38 -38.8 91.11 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.759 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.5 -46.48 95.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.06 -50.02 70.18 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 109.058 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -52.56 -51.47 59.57 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.197 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.95 -54.15 48.47 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.681 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.352 0.684 0 CA-C-N 119.37 0.986 . . . . 0.0 109.607 -177.313 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.996 -0.526 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.425 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.1 tmm? -55.17 -49.53 71.64 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.415 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.19 -44.78 79.73 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -56.64 -42.17 78.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.016 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mm -61.95 -45.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.21 -43.14 96.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.446 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.6 -42.51 96.91 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.062 0.847 . . . . 0.0 109.041 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -58.28 -39.66 79.87 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.381 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.43 -41.99 77.34 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.44 1.018 . . . . 0.0 110.202 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -61.61 -37.32 83.52 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.318 0.963 . . . . 0.0 109.757 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.53 -47.62 90.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 119.883 1.22 . . . . 0.0 107.957 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.1 -46.01 86.25 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.739 0.7 . . . . 0.0 110.246 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -50.79 -43.71 58.7 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.406 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.92 40.44 1.1 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.274 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--N 1.355 0.827 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 175.235 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -43.47 71.82 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -47.45 77.02 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.16 -41.81 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.952 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.16 -50.92 78.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.45 -42.05 61.29 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.895 0.77 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 mp0 -59.91 -53.71 54.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.796 -1.097 . . . . 0.0 109.258 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.71 69.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.471 1.487 . . . . 0.0 110.872 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.42 -43.32 99.08 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.034 1.288 . . . . 0.0 108.657 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -33.26 75.51 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.562 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.95 -46.1 97.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.589 1.541 . . . . 0.0 107.622 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -56.44 -45.99 80.54 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.147 0.885 . . . . 0.0 109.8 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.31 -50.82 64.16 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.736 0.698 . . . . 0.0 109.742 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.3 -2.87 40.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.049 -1.453 . . . . 0.0 112.892 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.355 0.817 0 CA-C-N 121.071 1.759 . . . . 0.0 110.047 177.013 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.7 mmt -67.74 -47.65 68.65 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 172.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.11 -44.13 82.94 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.719 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.85 -44.52 91.01 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.659 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.67 -42.57 94.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -56.7 -44.29 81.37 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.758 1.163 . . . . 0.0 109.247 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.53 -46.98 85.66 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.466 -0.894 . . . . 0.0 108.806 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.34 -45.29 76.42 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 118.993 0.815 . . . . 0.0 109.567 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.62 -42.95 93.83 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.629 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.12 -41.73 88.89 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.654 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.35 -31.84 54.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.652 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.1 -39.35 55.93 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.867 1.667 . . . . 0.0 110.699 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -54.44 -51.35 65.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.664 1.12 . . . . 0.0 109.109 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.35 -23.21 66.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.67 -1.634 . . . . 0.0 111.884 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 C--N 1.355 0.819 0 CA-C-N 121.477 1.944 . . . . 0.0 110.316 179.483 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.437 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 89.9 mtp -79.25 -38.99 34.21 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.762 -176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -54.1 -40.06 66.93 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.904 1.229 . . . . 0.0 109.837 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.54 -43.97 93.33 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.346 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mm -62.96 -40.38 88.76 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 119.159 0.89 . . . . 0.0 108.902 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -58.26 -41.95 85.38 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -65.57 -42.68 91.51 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.195 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -51.83 -43.51 63.18 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.757 1.162 . . . . 0.0 109.903 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.51 -43.74 89.23 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.639 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.94 -39.67 94.67 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.178 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.5 -47.24 88.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -56.55 -49.99 73.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.792 0.724 . . . . 0.0 109.583 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -50.32 -53.41 28.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.119 0.418 . . . . 0.0 110.403 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.03 -56.78 17.04 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.776 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--N 1.35 0.618 0 CA-C-N 118.463 0.574 . . . . 0.0 110.395 -173.251 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.835 -0.603 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.44 -47.75 59.18 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.69 -48.78 69.19 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.066 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -54.19 -47.07 72.47 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.819 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -58.77 -40.09 78.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.427 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -60.82 -46.99 88.38 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.313 0.96 . . . . 0.0 109.868 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -61.77 -51.59 67.7 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -45.08 41.11 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.043 0.838 . . . . 0.0 110.604 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -57.6 -45.68 85.0 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.352 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -62.14 -38.21 88.1 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.74 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.16 -49.22 82.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -53.11 -49.5 66.37 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.678 1.126 . . . . 0.0 110.117 -178.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.24 -52.04 60.26 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.88 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.11 -48.12 81.17 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.254 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.351 0.656 0 CA-C-N 119.477 1.035 . . . . 0.0 109.344 -178.482 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.1 ttm -68.31 -43.06 78.48 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.63 -46.86 67.25 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.896 0.771 . . . . 0.0 109.625 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.31 -42.34 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.073 0.851 . . . . 0.0 109.798 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CE1' ' CE1' ' A' ' 22' ' ' PHE . 56.7 t-80 -55.75 -41.29 73.73 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.096 1.316 . . . . 0.0 110.158 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.77 -50.58 73.4 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -55.18 -44.96 75.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 118.705 0.684 . . . . 0.0 110.399 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.53 -44.48 76.74 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.06 0.845 . . . . 0.0 109.681 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 18' ' ' HIS . 3.5 m-85 -65.99 -37.68 86.57 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.467 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.82 -50.4 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 119.93 1.241 . . . . 0.0 107.662 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -54.54 -48.03 72.48 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.65 0.659 . . . . 0.0 109.886 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.65 -53.65 44.19 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.277 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.31 -47.43 85.44 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.258 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.351 0.663 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.551 -179.792 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.62 -45.05 92.03 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.8 -49.08 69.09 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.335 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.22 -44.75 71.94 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.182 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.08 -41.03 91.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 119.775 -0.77 . . . . 0.0 108.956 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.78 -40.18 91.63 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 119.394 0.997 . . . . 0.0 109.554 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.3 -44.56 94.64 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -45.05 74.55 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.195 0.907 . . . . 0.0 108.825 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.626 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -61.11 -38.32 85.92 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.277 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.49 -48.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -52.83 -49.44 65.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.528 1.058 . . . . 0.0 109.899 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -58.01 -49.72 75.88 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.906 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.32 -48.03 81.63 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.478 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.352 0.689 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.683 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.3 p90 . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.17 165.31 20.62 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.95 163.7 28.87 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.02 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.25 -175.52 41.06 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.189 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.2 m -65.89 -52.34 50.91 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.831 1.316 . . . . 0.0 108.416 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -62.29 -44.36 96.71 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.35 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.73 -55.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -99.07 55.52 1.01 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.466 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.55 -45.03 95.89 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 167.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -58.2 164.82 2.21 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.863 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -153.4 -62.17 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.681 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -87.87 77.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.56 -61.34 0.11 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.572 -0.728 . . . . 0.0 109.811 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.7 mtp -65.7 -43.91 87.73 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 173.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.55 -45.01 81.46 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.69 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.53 -41.61 94.82 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.48 -46.59 96.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -52.89 -45.14 67.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.357 0.981 . . . . 0.0 110.011 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -59.86 -48.12 82.98 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.888 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -57.58 -37.73 73.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.54 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.92 -45.25 86.83 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.099 0.863 . . . . 0.0 108.752 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -64.48 -37.79 88.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.385 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.06 -52.7 47.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 119.792 1.178 . . . . 0.0 108.283 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -53.35 -49.43 67.13 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.719 1.145 . . . . 0.0 110.349 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -49.6 -49.42 46.81 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.915 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.11 -52.21 66.68 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.934 -1.031 . . . . 0.0 108.487 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.8 mt -48.77 -47.67 41.67 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.389 0.995 . . . . 0.0 109.679 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.32 84.42 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.104 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -103.71 25.03 10.29 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.247 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -77.0 -56.2 4.79 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.806 1.639 . . . . 0.0 107.43 172.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -178.47 -57.89 0.07 OUTLIER Glycine 0 C--N 1.353 1.51 0 C-N-CA 119.333 -1.413 . . . . 0.0 112.236 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt 60.56 79.22 0.25 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 117.761 0.78 . . . . 0.0 110.739 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.84 49.51 1.21 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.242 0.474 . . . . 0.0 110.431 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.12 81.54 5.37 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -130.42 63.27 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -68.6 89.64 0.37 Allowed 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.996 -0.526 . . . . 0.0 109.656 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? 57.96 72.87 0.5 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 117.879 0.309 . . . . 0.0 110.982 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -64.42 -19.62 65.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 116.626 -1.654 . . . . 0.0 109.873 168.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 t30 69.8 91.33 0.09 Allowed 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt 63.78 70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 t -54.35 161.06 1.48 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.453 -0.785 . . . . 0.0 110.638 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 C--N 1.354 0.803 0 CA-C-N 118.417 0.553 . . . . 0.0 110.091 -177.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.49 56.33 1.22 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -114.96 166.64 11.57 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.743 0.652 . . . . 0.0 109.767 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.68 43.49 1.17 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 m -91.6 59.37 3.76 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -169.99 -56.89 0.02 OUTLIER 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.792 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.2 mt -147.09 129.32 7.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m -152.64 52.84 0.77 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.474 1.488 . . . . 0.0 109.481 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 60.65 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -65.46 -22.06 66.71 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.945 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -56.34 -44.73 80.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.576 1.534 . . . . 0.0 107.316 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.89 75.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 166.86 -53.65 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -43.85 67.89 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 174.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -49.84 -44.3 49.4 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.105 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.92 -49.0 72.36 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 119.309 0.959 . . . . 0.0 109.249 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.81 -41.84 83.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 108.772 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.43 -40.46 91.18 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.495 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -65.48 -44.28 87.61 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.87 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -56.89 -41.78 78.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.477 1.035 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -60.36 -43.94 96.05 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.289 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -63.49 -41.12 98.57 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.168 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.66 -50.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.01 -48.16 67.74 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.701 0.682 . . . . 0.0 109.63 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -56.73 -51.9 67.05 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.815 -0.612 . . . . 0.0 109.968 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.05 -42.03 79.79 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.289 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.76 -43.36 90.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.926 1.239 . . . . 0.0 109.086 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.07 86.66 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.574 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.31 -39.07 92.0 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.781 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -54.01 -41.14 67.65 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.989 0.813 . . . . 0.0 109.542 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.63 46.33 93.95 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -131.71 73.0 1.51 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -154.77 151.3 28.52 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.409 -1.282 . . . . 0.0 109.135 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -156.58 60.42 0.55 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.997 1.271 . . . . 0.0 110.723 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -144.54 50.61 1.28 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -152.86 173.11 15.76 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.272 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 55.59 54.03 8.9 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -99.58 48.07 0.95 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.93 53.32 1.15 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.3 mm -82.0 148.18 5.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.5 m 54.21 62.7 2.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 C--N 1.354 0.785 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.358 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.1 p90 . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.79 159.63 0.09 Allowed 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.752 0.658 . . . . 0.0 111.424 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -169.87 170.29 7.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.932 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.51 66.42 0.1 Allowed Glycine 0 C--N 1.353 1.483 0 C-N-CA 119.511 -1.328 . . . . 0.0 111.396 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -103.87 34.04 3.18 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.26 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.612 0.642 . . . . 0.0 109.297 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -143.26 147.36 20.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p -157.5 58.19 0.5 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.473 1.488 . . . . 0.0 111.389 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.76 -38.26 90.43 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -40.64 -39.88 1.16 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.402 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -44.95 -48.04 11.37 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.608 1.095 . . . . 0.0 110.206 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -84.35 82.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.18 -55.93 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 118.199 0.454 . . . . 0.0 110.536 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -66.52 -43.46 85.16 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.18 -44.37 42.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.579 0.627 . . . . 0.0 110.642 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.53 -42.31 98.63 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.251 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.76 -47.1 90.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -53.42 -43.92 68.37 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.917 0.78 . . . . 0.0 109.825 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -60.27 -42.87 96.3 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.182 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.78 -42.32 68.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.133 0.879 . . . . 0.0 109.871 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.04 -44.8 75.03 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.59 1.087 . . . . 0.0 109.91 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.068 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.86 -46.23 87.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 119.56 1.073 . . . . 0.0 108.176 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.9 -47.71 76.93 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.055 0.843 . . . . 0.0 109.563 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.51 -48.57 68.89 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.315 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.04 -48.35 82.08 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 119.406 -0.918 . . . . 0.0 109.176 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.04 -41.89 79.49 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 109.514 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.83 86.33 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.211 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -97.35 70.58 2.31 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -155.03 -60.39 0.11 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.556 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.91 68.74 1.5 Allowed Glycine 0 C--N 1.355 1.611 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -144.53 77.23 1.53 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -156.91 53.23 0.51 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.602 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -100.71 53.51 0.86 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.24 61.54 0.15 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.419 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -157.56 127.45 6.15 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.549 -1.215 . . . . 0.0 109.835 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -150.1 58.7 0.97 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -148.4 -166.49 2.55 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.636 -1.173 . . . . 0.0 108.789 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -143.59 54.19 1.33 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.962 1.256 . . . . 0.0 109.195 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.5 mm -111.17 144.16 19.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -85.32 76.26 10.15 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.55 54.14 10.13 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.81 0.732 . . . . 0.0 109.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -157.05 152.45 26.52 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.891 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.57 166.39 32.78 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.306 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -64.76 -66.1 0.59 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -148.51 49.08 1.02 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-N 118.861 0.755 . . . . 0.0 109.581 171.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.9 mt -143.74 138.56 25.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.074 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 t -103.92 52.23 0.77 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 120.273 1.397 . . . . 0.0 108.68 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 36.98 53.92 1.16 Allowed 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.524 0.515 . . . . 0.0 112.37 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -61.21 -34.75 75.6 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.786 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.3 m -53.99 -44.29 70.71 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.028 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.4 mt -90.67 67.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.79 -56.14 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -72.71 -50.89 21.81 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.44 -40.39 86.65 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -53.81 -50.48 66.03 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.73 -41.74 91.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.24 -42.54 69.98 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.305 0.957 . . . . 0.0 109.414 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.49 -37.5 80.16 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.168 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -51.46 -37.02 46.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.147 1.34 . . . . 0.0 110.062 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -52.24 -44.62 64.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.597 1.09 . . . . 0.0 109.88 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -56.59 -39.04 72.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -54.88 -49.79 67.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 119.673 1.124 . . . . 0.0 108.394 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -58.07 -52.58 64.95 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.767 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -50.34 -46.58 55.83 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.827 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.9 -54.17 30.03 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -49.62 -46.47 49.35 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.498 1.045 . . . . 0.0 109.335 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.06 95.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.122 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -103.26 49.08 0.84 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.462 0.574 . . . . 0.0 110.723 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.3 -67.68 0.4 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.78 64.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -164.25 102.84 0.85 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.049 0.924 . . . . 0.0 108.852 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.81 163.92 14.11 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.873 -1.061 . . . . 0.0 109.76 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -137.77 51.21 1.91 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.916 0.78 . . . . 0.0 109.671 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -99.46 53.48 0.95 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -155.93 166.47 33.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.254 -172.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -136.42 58.18 1.75 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -132.42 175.84 8.94 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.191 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -84.2 62.94 7.42 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.12 0.873 . . . . 0.0 109.36 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 68.06 164.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 118.65 0.659 . . . . 0.0 110.063 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 m -73.48 93.93 2.05 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 . . . . . 0 C--N 1.355 0.806 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.164 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.8 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.99 155.1 5.43 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.133 -0.937 . . . . 0.0 111.13 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -167.86 151.13 5.95 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.063 -1.446 . . . . 0.0 109.105 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.5 -80.68 0.12 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 107.425 -2.27 . . . . 0.0 107.425 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.9 p -143.65 -77.59 0.23 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.6 -49.0 28.41 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 172.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -158.87 154.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.033 -174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 t 131.58 143.69 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.089 -1.434 . . . . 0.0 107.328 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -153.05 64.03 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.8 1.182 . . . . 0.0 110.374 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -60.65 -30.42 69.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.516 -0.873 . . . . 0.0 109.663 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -47.82 -43.39 27.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.312 0.96 . . . . 0.0 109.354 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.5 mt -88.16 70.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.58 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.93 -46.95 82.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -48.43 76.37 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.231 176.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.2 -43.12 64.05 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.873 0.76 . . . . 0.0 110.295 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.37 -46.36 95.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -54.66 -41.2 69.86 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.155 0.889 . . . . 0.0 110.077 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.87 -45.14 95.06 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -53.56 -37.17 62.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.75 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -46.96 76.18 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.063 1.301 . . . . 0.0 109.578 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -62.37 -39.45 93.2 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.519 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.45 -47.64 84.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -55.38 -48.3 74.51 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.861 0.755 . . . . 0.0 109.725 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -55.4 -51.2 67.61 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.027 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.84 -49.97 75.72 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.111 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.69 -41.52 77.47 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.746 0.703 . . . . 0.0 109.81 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.47 93.3 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.768 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -87.82 74.77 9.01 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -124.54 44.32 2.79 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.26 -70.85 1.23 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 106.559 -2.616 . . . . 0.0 106.559 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt 48.85 49.33 19.27 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 117.345 0.572 . . . . 0.0 109.512 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -166.68 147.99 6.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.753 -1.594 . . . . 0.0 109.353 -174.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.25 49.61 0.81 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.364 1.438 . . . . 0.0 108.307 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -169.99 57.14 0.04 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -60.64 -45.31 94.55 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp 55.93 74.56 0.38 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.594 166.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -118.84 51.75 1.09 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -159.04 58.49 0.42 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 tt -57.19 144.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-O 118.033 -0.985 . . . . 0.0 109.372 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -58.06 146.86 31.48 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.723 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 . . . . . 0 C--N 1.355 0.826 0 CA-C-N 119.415 1.007 . . . . 0.0 109.517 178.353 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.2 p90 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.86 53.67 0.71 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.34 0.518 . . . . 0.0 109.983 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.34 166.41 3.91 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.885 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.71 79.85 0.45 Allowed Glycine 0 C--N 1.355 1.614 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p 45.34 45.63 10.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.494 1.147 . . . . 0.0 108.528 -173.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -81.15 -62.62 1.61 Allowed 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -141.72 146.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 p -151.57 66.82 0.88 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -168.8 -57.71 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.489 0.493 . . . . 0.0 110.103 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -55.65 152.71 8.94 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.742 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 m -49.57 -48.1 48.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.256 0.935 . . . . 0.0 111.562 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.07 69.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 177.38 -56.91 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 51.1 ttm -58.59 -50.46 73.72 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.89 -47.08 74.74 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -48.36 -44.74 34.77 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.54 1.064 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.84 -44.62 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.628 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -57.16 -46.71 82.52 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.972 0.806 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -57.11 -45.61 83.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.672 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.04 -41.06 77.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.567 1.076 . . . . 0.0 109.892 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.27 -43.95 88.17 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.313 0.96 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.74 -37.57 88.04 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.866 -1.064 . . . . 0.0 108.936 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.41 -48.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.123 1.329 . . . . 0.0 107.879 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.57 -50.36 63.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.526 1.057 . . . . 0.0 110.112 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -56.18 -48.5 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.42 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.15 -45.53 92.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.171 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.2 -46.88 72.56 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.375 0.989 . . . . 0.0 108.44 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.65 78.32 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.201 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -130.65 61.05 1.62 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-N 119.417 1.008 . . . . 0.0 111.139 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.26 -53.04 10.57 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.04 40.87 2.68 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 118.563 -1.131 . . . . 0.0 112.209 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -147.64 68.22 1.12 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.22 -158.89 0.9 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 116.988 -1.482 . . . . 0.0 107.045 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 t30 49.58 51.67 15.99 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.997 1.726 . . . . 0.0 107.519 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.11 -179.62 3.84 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 123.985 0.803 . . . . 0.0 109.787 -172.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.4 m-90 -132.73 59.43 1.73 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -90.76 61.15 4.69 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 44.8 49.61 8.91 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -158.28 69.16 0.5 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.14 -173.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.316 14.1 tt 54.19 155.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.668 1.23 . . . . 0.0 113.479 177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.3 p -59.22 -34.53 72.29 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.274 -1.517 . . . . 0.0 110.791 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--N 1.355 0.836 0 CA-C-N 118.853 0.751 . . . . 0.0 109.203 177.374 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.37 57.71 0.51 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.668 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.73 161.3 10.29 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.485 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.44 -74.1 0.13 Allowed Glycine 0 C--N 1.355 1.61 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 16.8 m -144.03 -72.66 0.28 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.427 ' CG ' ' O ' ' A' ' 5' ' ' THR . 37.5 m-85 -165.25 -57.8 0.03 OUTLIER 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.011 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.43 59.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.972 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 t 41.4 44.58 2.45 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.63 -60.0 2.48 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.894 -0.723 . . . . 0.0 109.924 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -72.56 -30.38 64.37 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.735 -1.126 . . . . 0.0 111.767 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -31.71 -43.0 0.06 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.57 84.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 178.69 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 69.6 mtm -64.07 -46.0 86.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.35 -44.14 75.67 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.041 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.2 -38.05 85.18 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.975 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.99 -47.24 88.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -53.48 -43.17 67.97 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.294 0.952 . . . . 0.0 110.156 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -61.84 -43.79 98.13 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -54.91 -42.62 72.41 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.933 0.788 . . . . 0.0 109.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.33 -45.14 76.38 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.2 0.909 . . . . 0.0 109.797 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.71 -38.08 89.79 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.081 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.0 t -58.21 -47.61 86.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 119.784 1.175 . . . . 0.0 108.126 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.82 -48.94 72.17 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.505 1.048 . . . . 0.0 109.961 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -51.96 -50.04 62.0 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.051 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.95 -44.84 96.7 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.83 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.04 -47.54 80.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.362 0.983 . . . . 0.0 108.768 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.61 87.51 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.742 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -104.99 56.75 0.69 Allowed 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -96.29 163.91 12.88 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.679 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.83 -72.03 1.21 Allowed Glycine 0 C--N 1.355 1.592 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -149.89 69.39 1.02 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -131.12 -179.74 5.52 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 60.6 41.25 15.64 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.404 0.547 . . . . 0.0 110.46 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.15 86.78 6.96 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -59.56 145.75 43.19 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.154 -0.926 . . . . 0.0 110.114 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.07 47.18 2.36 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -146.1 54.31 1.15 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -154.24 -173.33 4.53 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.549 -1.691 . . . . 0.0 107.651 -173.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.0 tt -43.85 123.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-N 121.218 1.826 . . . . 0.0 109.563 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.1 p -87.95 -37.7 16.18 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.378 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--N 1.356 0.866 0 CA-C-N 119.624 1.102 . . . . 0.0 109.219 -179.466 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 p90 . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 118.234 -0.889 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.91 67.59 0.98 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.819 0.736 . . . . 0.0 110.63 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.98 160.3 43.01 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.14 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.96 43.31 1.67 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 m -62.25 -48.97 77.58 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -113.14 29.82 7.68 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.886 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -137.59 137.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.9 p -162.54 59.21 0.22 Allowed 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.75 1.159 . . . . 0.0 109.277 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -108.56 58.7 0.61 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -60.75 -28.18 68.51 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.665 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.5 t -42.84 -41.59 3.32 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.668 1.122 . . . . 0.0 110.268 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mm -83.7 77.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.67 -59.77 0.08 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.648 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -61.58 -46.73 88.62 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.75 -44.63 77.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.885 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.62 -45.48 89.12 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.692 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.25 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -59.53 -39.55 84.28 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.348 0.976 . . . . 0.0 109.078 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.59 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -56.54 -41.88 77.54 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 118.65 -0.691 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.05 -44.13 67.2 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 119.28 0.945 . . . . 0.0 109.392 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -64.38 -40.47 95.88 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.885 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.53 -51.93 45.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 119.888 1.222 . . . . 0.0 108.039 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -55.24 -50.0 70.57 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.878 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.49 -51.81 61.59 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.512 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -46.41 87.08 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.494 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.36 -45.44 88.2 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.032 0.833 . . . . 0.0 109.93 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.49 -39.09 60.82 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.062 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -91.09 62.11 4.75 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.192 0.451 . . . . 0.0 110.997 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -132.82 51.34 2.16 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.27 51.13 53.0 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 107.749 -2.14 . . . . 0.0 107.749 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -148.8 74.02 1.25 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -173.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -164.67 166.52 19.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.236 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.27 52.9 1.89 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 38.37 40.07 0.33 Allowed 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.642 0.589 . . . . 0.0 111.696 -177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -63.59 -30.47 71.57 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.264 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.28 83.25 0.09 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.69 -139.76 0.09 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.193 -1.86 . . . . 0.0 108.247 -176.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -78.1 74.28 4.65 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 122.166 2.257 . . . . 0.0 110.006 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.5 tt -149.02 52.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 m 69.17 141.03 0.04 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-O 118.441 -0.79 . . . . 0.0 108.974 -172.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.355 0.805 0 CA-C-N 119.52 1.055 . . . . 0.0 110.294 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 CA--C 1.511 -0.546 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.71 162.94 28.85 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.159 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.28 160.62 30.13 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.08 -57.19 0.61 Allowed Glycine 0 C--N 1.354 1.561 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.8 p -140.67 158.82 43.41 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.151 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.75 -36.68 85.1 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.111 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.6 tt -151.93 152.19 11.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.26 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.1 t -66.77 173.89 3.25 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.564 1.074 . . . . 0.0 109.188 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.1 50.49 1.02 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -70.73 159.22 34.89 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 m -42.08 -48.45 4.7 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.886 1.221 . . . . 0.0 112.305 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -85.27 76.19 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 163.8 -49.27 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -57.52 -51.35 69.81 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.0 -46.68 71.81 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.922 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.39 -45.53 69.32 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.927 0.785 . . . . 0.0 109.706 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.69 -46.66 91.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -53.97 -42.52 69.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.302 0.956 . . . . 0.0 110.422 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.61 -40.82 88.79 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.122 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -55.99 -39.46 71.87 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.446 1.021 . . . . 0.0 109.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.79 -47.2 80.72 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.595 1.088 . . . . 0.0 109.449 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.605 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.2 -54.26 34.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -53.32 -50.77 64.27 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.014 0.824 . . . . 0.0 110.566 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -46.35 -50.28 16.6 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.303 0.501 . . . . 0.0 110.755 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.7 -49.47 68.41 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 119.659 -0.817 . . . . 0.0 109.715 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.18 -41.61 75.76 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.827 0.739 . . . . 0.0 110.372 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.23 67.05 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.796 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.74 71.44 1.07 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -152.54 -66.66 0.16 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.05 47.75 0.29 Allowed Glycine 0 C--N 1.354 1.578 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.517 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 61.92 0.42 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -160.75 152.09 19.2 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.174 -1.393 . . . . 0.0 108.972 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 55.6 t-20 -114.31 59.89 0.68 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.667 1.122 . . . . 0.0 110.426 -173.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASN . 33.4 t70 22.71 87.99 0.01 OUTLIER 'General case' 0 C--N 1.355 0.845 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -55.41 162.57 1.5 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.258 0.935 . . . . 0.0 110.23 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -133.97 49.02 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -133.7 43.53 2.86 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -167.91 92.65 0.36 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.52 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 N-CA-C 105.153 -2.166 . . . . 0.0 105.153 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.5 p -87.67 160.79 17.99 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.472 1.033 . . . . 0.0 108.99 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 C--N 1.355 0.822 0 CA-C-O 121.514 0.673 . . . . 0.0 110.115 178.487 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.88 53.15 10.74 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.002 0.819 . . . . 0.0 109.598 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -160.59 153.11 20.76 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.777 -1.106 . . . . 0.0 110.141 -173.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.52 -96.99 0.09 OUTLIER Glycine 0 C--N 1.355 1.61 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.4 m 47.68 69.0 0.57 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.368 1.584 . . . . 0.0 109.314 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -155.72 -58.5 0.1 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.498 -1.239 . . . . 0.0 112.859 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.6 128.9 38.29 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t 41.42 44.68 2.5 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.54 1.064 . . . . 0.0 112.96 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.87 -49.09 18.93 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.115 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -127.46 46.43 2.54 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -172.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.0 p -77.96 -57.5 3.76 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.083 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -84.16 73.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.46 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.7 ttm -61.92 -48.77 78.94 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.54 -45.83 80.97 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.058 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -57.77 -45.52 85.84 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.27 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.05 -46.98 86.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -53.9 -41.29 67.46 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.43 -44.27 87.86 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.49 -37.22 62.52 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.476 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.89 -42.99 63.13 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.054 1.297 . . . . 0.0 109.892 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.215 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.95 -50.68 67.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -54.28 -47.55 72.21 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.968 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.24 -52.51 64.2 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.121 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.31 -42.79 82.5 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.795 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.57 -41.32 98.39 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.067 0.849 . . . . 0.0 109.392 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.73 76.63 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.224 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -101.86 82.69 2.28 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -126.08 45.86 2.55 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.19 49.07 14.86 Favored Glycine 0 C--N 1.355 1.631 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -158.81 117.6 3.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.48 -1.248 . . . . 0.0 109.5 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -164.92 147.98 8.47 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.768 1.167 . . . . 0.0 110.328 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -166.99 65.47 0.09 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.281 0.946 . . . . 0.0 108.943 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -155.47 78.12 1.0 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.746 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -45.33 -42.75 10.23 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.6 tttt 48.19 84.57 0.03 OUTLIER 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.521 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -72.15 -34.46 68.53 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.298 0.954 . . . . 0.0 109.118 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -68.56 82.88 0.27 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.845 0.748 . . . . 0.0 110.299 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.1 mt -113.35 147.59 16.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -62.45 157.88 19.09 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.863 1.211 . . . . 0.0 109.605 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.355 0.806 0 CA-C-N 118.619 0.645 . . . . 0.0 110.594 -178.676 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 117.624 -1.179 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.63 170.19 0.11 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 118.944 0.793 . . . . 0.0 111.19 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.15 175.01 11.44 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.971 0.805 . . . . 0.0 110.737 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.83 -65.35 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.4 p -128.77 64.98 1.43 Allowed 'General case' 0 C--N 1.354 0.799 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.14 -35.67 36.84 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.43 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -156.33 150.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.0 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -80.85 74.51 7.81 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.65 -62.04 0.11 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.111 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -120.22 53.54 1.08 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -118.85 35.6 4.75 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 mt -134.48 53.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.03 -71.9 0.09 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.8 tpp -59.15 -47.39 85.47 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.761 1.164 . . . . 0.0 107.888 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -55.02 -52.99 61.44 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -50.56 -43.3 56.24 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.14 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mm -56.09 -42.12 71.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.747 1.158 . . . . 0.0 108.834 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -55.39 -46.43 76.57 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.019 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -61.42 -45.78 92.89 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.125 -0.94 . . . . 0.0 108.788 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.8 -40.39 66.3 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.491 1.041 . . . . 0.0 110.123 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -59.13 -46.76 87.5 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.22 0.918 . . . . 0.0 109.65 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -63.49 -38.78 92.44 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.591 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.28 -49.23 84.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -53.05 -49.22 66.79 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.159 0.89 . . . . 0.0 109.76 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -53.35 -52.16 60.13 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.208 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.4 -46.42 86.43 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.489 -0.885 . . . . 0.0 109.379 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.25 -44.61 92.37 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.966 0.803 . . . . 0.0 109.515 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.8 66.54 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.942 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -126.64 64.69 1.27 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -83.46 -66.57 0.88 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.39 -68.27 0.98 Allowed Glycine 0 C--N 1.354 1.571 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 77.95 1.2 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt 68.81 161.85 0.2 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.21 40.2 0.69 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.792 0.724 . . . . 0.0 110.466 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.3 t70 176.35 152.5 0.17 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.495 -1.241 . . . . 0.0 110.471 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -90.73 -71.56 0.62 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -156.32 78.14 0.94 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.292 0.951 . . . . 0.0 109.347 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -131.97 54.95 1.9 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -148.7 54.01 1.0 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 tp -158.4 161.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-O 117.022 -1.466 . . . . 0.0 108.497 -170.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 t -134.92 163.79 29.06 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.135 1.334 . . . . 0.0 110.007 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 118.413 0.551 . . . . 0.0 109.529 -179.136 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 24.3 p90 . . . . . 0 CA--C 1.51 -0.568 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.4 62.14 2.84 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.13 41.55 1.34 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.314 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -74.04 0.94 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 104.814 -3.314 . . . . 0.0 104.814 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.5 p 41.0 63.81 1.12 Allowed 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -56.51 -47.98 78.17 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pp -140.8 169.1 15.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.6 m -141.03 53.12 1.58 Allowed 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 175.45 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.102 0.877 . . . . 0.0 109.543 -173.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -86.66 69.02 10.31 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -52.2 -50.71 61.38 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.342 -174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.6 mt -132.06 73.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -159.87 -58.93 0.06 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.016 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.47 -49.56 64.44 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.225 173.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.9 -43.68 77.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.183 0.901 . . . . 0.0 110.193 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.59 -39.93 84.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 119.18 0.9 . . . . 0.0 108.706 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -61.67 -38.79 89.07 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.302 0.955 . . . . 0.0 109.186 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.68 -48.26 80.1 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.96 -43.77 66.63 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.256 0.935 . . . . 0.0 109.776 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.16 -45.21 93.83 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.236 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -57.54 -38.83 75.37 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.916 0.78 . . . . 0.0 110.615 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.44 -34.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -46.55 -43.41 17.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.017 1.281 . . . . 0.0 110.647 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.6 t90 -60.26 -48.87 79.9 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.933 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.29 -30.39 69.44 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.177 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 tp -46.36 -39.47 10.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.169 1.35 . . . . 0.0 110.936 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.09 -45.51 8.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.409 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.29 29.6 7.69 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.855 -1.069 . . . . 0.0 112.829 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -76.88 -62.86 1.5 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.56 -103.38 1.95 Allowed Glycine 0 C--N 1.356 1.641 0 N-CA-C 107.654 -2.179 . . . . 0.0 107.654 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -160.75 151.86 18.92 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.182 1.491 . . . . 0.0 109.492 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -165.07 167.2 18.53 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.552 1.069 . . . . 0.0 110.507 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 49.05 54.29 11.16 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 123.486 0.491 . . . . 0.0 111.162 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.4 t70 48.41 72.15 0.3 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.638 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.7 m95 67.92 163.47 0.21 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.867 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HZ3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -125.71 64.11 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.569 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.7 m170 62.57 56.79 1.96 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.98 63.31 4.47 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.8 tt -170.59 130.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 116.544 -1.693 . . . . 0.0 107.567 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.9 p 39.93 46.92 1.8 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.417 1.462 . . . . 0.0 109.632 -175.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 . . . . . 0 C--N 1.355 0.818 0 C-N-CA 120.139 -0.625 . . . . 0.0 109.849 -174.381 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.735 -1.126 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.92 173.87 0.13 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.882 0.765 . . . . 0.0 110.697 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.96 160.49 1.97 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 118.942 0.792 . . . . 0.0 110.65 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.84 -73.0 0.04 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -109.13 54.51 0.65 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 171.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -158.34 54.66 0.45 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -164.75 150.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 117.638 -1.172 . . . . 0.0 108.704 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.4 t -59.1 157.45 10.27 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.129 1.331 . . . . 0.0 109.469 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.1 68.56 6.27 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -166.74 159.98 14.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.504 -1.712 . . . . 0.0 109.512 -174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 t 94.65 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.481 1.037 . . . . 0.0 109.328 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.7 75.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.91 -58.06 0.03 OUTLIER 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -69.79 -46.2 66.25 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -43.48 44.94 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.058 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -58.53 -46.32 87.04 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.333 0.969 . . . . 0.0 108.966 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.42 -43.62 82.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 119.576 1.08 . . . . 0.0 108.665 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -61.77 -39.55 92.06 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.802 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -64.68 -49.14 72.12 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.96 -42.18 62.68 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.568 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.36 -46.9 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.378 0.99 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -65.38 -38.8 91.11 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.759 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.5 -46.48 95.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.06 -50.02 70.18 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 109.058 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -52.56 -51.47 59.57 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.197 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.95 -54.15 48.47 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.681 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.11 -44.99 88.01 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.37 0.986 . . . . 0.0 109.607 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.95 66.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -91.09 63.13 5.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -157.45 51.78 0.46 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.712 0.687 . . . . 0.0 109.717 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.08 35.35 0.69 Allowed Glycine 0 C--N 1.355 1.587 0 CA-C-O 118.128 -1.373 . . . . 0.0 114.112 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 41.83 52.54 4.13 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.806 1.303 . . . . 0.0 110.505 -177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.68 174.61 10.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 59.34 46.56 12.46 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -164.85 88.29 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.231 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -43.79 -44.91 7.03 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.438 -0.791 . . . . 0.0 111.764 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 55.36 69.66 0.71 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.593 0.633 . . . . 0.0 111.013 174.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -136.09 45.06 2.4 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.628 0.649 . . . . 0.0 110.173 173.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 t30 41.77 73.76 0.12 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.985 -0.531 . . . . 0.0 112.022 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.11 105.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -58.5 146.39 35.57 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 110.312 -174.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.831 0 CA-C-N 119.189 0.904 . . . . 0.0 111.394 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.92 169.95 16.65 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.284 177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.71 154.5 38.78 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.82 61.5 7.3 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.118 -1.593 . . . . 0.0 109.118 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 p -64.65 -64.02 0.98 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -165.62 -73.26 0.03 OUTLIER 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.0 mt -148.05 133.67 11.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -100.77 52.33 0.86 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.871 1.668 . . . . 0.0 109.398 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -157.9 52.2 0.45 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -70.04 142.55 52.71 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.326 -0.949 . . . . 0.0 108.865 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 t -174.36 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -77.67 -48.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.59 45.92 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.416 1.007 . . . . 0.0 109.946 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.425 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.1 tmm? -55.17 -49.53 71.64 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.415 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.19 -44.78 79.73 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -56.64 -42.17 78.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.016 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mm -61.95 -45.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.21 -43.14 96.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.446 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.6 -42.51 96.91 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.062 0.847 . . . . 0.0 109.041 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -58.28 -39.66 79.87 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.381 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.43 -41.99 77.34 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.44 1.018 . . . . 0.0 110.202 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -61.61 -37.32 83.52 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.318 0.963 . . . . 0.0 109.757 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.53 -47.62 90.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 119.883 1.22 . . . . 0.0 107.957 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.1 -46.01 86.25 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.739 0.7 . . . . 0.0 110.246 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -50.79 -43.71 58.7 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.406 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.92 40.44 1.1 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.274 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.7 -49.04 15.27 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.45 68.35 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.244 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -107.01 48.98 0.82 Allowed 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -71.4 -51.76 22.25 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.52 66.06 0.38 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 108.838 -1.705 . . . . 0.0 108.838 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 57.05 78.18 0.23 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -144.34 177.48 8.6 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 119.114 -0.47 . . . . 0.0 112.234 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 56.56 70.65 0.63 Allowed 'General case' 0 C--N 1.358 0.939 0 O-C-N 123.858 0.724 . . . . 0.0 109.918 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 t70 46.54 50.57 12.69 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -43.1 -53.77 4.75 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.588 -1.196 . . . . 0.0 109.575 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 39.14 40.44 0.5 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 170.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 46.29 21.73 0.13 Allowed 'General case' 0 C--N 1.353 0.751 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -177.1 124.66 0.14 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.505 -1.712 . . . . 0.0 107.683 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 tp -163.65 147.53 3.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 121.282 1.856 . . . . 0.0 110.565 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -151.36 147.88 27.45 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.371 -1.3 . . . . 0.0 108.091 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 . . . . . 0 C--N 1.354 0.775 0 CA-C-N 120.049 1.295 . . . . 0.0 109.876 -177.167 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.28 155.73 20.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.579 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -141.86 162.73 34.75 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.022 -0.989 . . . . 0.0 108.804 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.34 115.19 0.38 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-O 117.829 -1.539 . . . . 0.0 111.161 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.61 170.35 22.58 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.556 1.678 . . . . 0.0 109.119 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.37 -56.57 15.26 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.107 0.867 . . . . 0.0 109.516 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.78 113.6 37.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 10' ' ' TYR . 19.5 m -148.78 41.11 0.92 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.026 1.284 . . . . 0.0 109.755 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 58.28 -75.44 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.433 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 8' ' ' SER . 96.1 m-85 -75.88 -2.28 29.43 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.303 -1.332 . . . . 0.0 112.931 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -52.33 -40.96 62.58 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 121.291 1.859 . . . . 0.0 108.47 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.2 mt -90.86 68.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.5 -59.63 0.02 OUTLIER 'General case' 0 C--N 1.353 0.741 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -43.47 71.82 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -47.45 77.02 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.16 -41.81 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.952 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.16 -50.92 78.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.45 -42.05 61.29 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.895 0.77 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 mp0 -59.91 -53.71 54.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.796 -1.097 . . . . 0.0 109.258 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.71 69.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.471 1.487 . . . . 0.0 110.872 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.42 -43.32 99.08 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.034 1.288 . . . . 0.0 108.657 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -33.26 75.51 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.562 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.95 -46.1 97.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.589 1.541 . . . . 0.0 107.622 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -56.44 -45.99 80.54 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.147 0.885 . . . . 0.0 109.8 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.31 -50.82 64.16 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.736 0.698 . . . . 0.0 109.742 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.3 -2.87 40.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.049 -1.453 . . . . 0.0 112.892 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 tp -48.7 -41.8 32.88 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.071 1.759 . . . . 0.0 110.047 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.45 5.2 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.994 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -137.93 108.38 6.53 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.01 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -127.47 53.74 1.72 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.87 57.41 18.2 Favored Glycine 0 C--N 1.353 1.501 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.069 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.99 76.2 8.9 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 65.31 142.54 0.03 OUTLIER 'General case' 0 C--N 1.356 0.863 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -164.69 56.84 0.14 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.958 0.799 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.9 t70 52.75 70.07 0.62 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.693 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -150.23 159.27 44.56 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.039 173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt 55.27 91.11 0.03 OUTLIER 'General case' 0 C--N 1.358 0.95 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -170.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.48 74.99 0.48 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.87 0.759 . . . . 0.0 110.696 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 65.22 76.94 0.32 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 153.19 11.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.601 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -55.45 -36.97 67.13 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.01 1.277 . . . . 0.0 111.111 -174.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 . . . . . 0 C--N 1.354 0.798 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 176.916 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.22 -0.464 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.54 58.83 0.49 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -158.43 152.24 23.6 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.529 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 70.44 1.31 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 m -56.82 -54.69 43.55 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.69 -41.1 39.24 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.751 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.0 145.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.364 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.2 m -95.69 68.13 2.85 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.824 1.193 . . . . 0.0 108.498 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -157.91 -63.47 0.09 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.609 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -119.91 26.91 9.0 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.154 0.888 . . . . 0.0 111.721 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -71.98 -37.65 69.83 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.575 1.08 . . . . 0.0 109.259 172.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.4 mt -80.59 72.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 105.199 -2.148 . . . . 0.0 105.199 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.57 -59.69 0.02 OUTLIER 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.7 mmt -67.74 -47.65 68.65 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 172.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.11 -44.13 82.94 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.719 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.85 -44.52 91.01 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.659 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.67 -42.57 94.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -56.7 -44.29 81.37 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.758 1.163 . . . . 0.0 109.247 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.53 -46.98 85.66 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.466 -0.894 . . . . 0.0 108.806 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.34 -45.29 76.42 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 118.993 0.815 . . . . 0.0 109.567 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.62 -42.95 93.83 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.629 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.12 -41.73 88.89 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.654 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.35 -31.84 54.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.652 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.1 -39.35 55.93 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.867 1.667 . . . . 0.0 110.699 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -54.44 -51.35 65.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.664 1.12 . . . . 0.0 109.109 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.35 -23.21 66.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.67 -1.634 . . . . 0.0 111.884 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 tp -46.19 -41.37 12.61 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.477 1.944 . . . . 0.0 110.316 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.69 -52.4 62.52 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.157 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.42 76.56 4.47 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.08 -61.73 0.1 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.7 -89.38 0.07 OUTLIER Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.102 -1.388 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.8 tttt 52.11 59.83 4.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.733 1.266 . . . . 0.0 108.078 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.6 -177.6 3.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 58.07 60.06 2.85 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -144.88 60.18 1.31 Allowed 'General case' 0 C--N 1.353 0.731 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -59.19 85.76 0.01 OUTLIER 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.502 0.501 . . . . 0.0 111.507 -174.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.83 50.17 2.26 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -125.26 -154.83 0.64 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.81 162.16 33.17 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.209 1.368 . . . . 0.0 108.974 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.75 64.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -163.49 169.48 18.74 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.982 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 . . . . . 0 C--N 1.353 0.722 0 CA-C-N 118.564 0.62 . . . . 0.0 110.629 -178.008 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 p90 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.89 165.35 29.17 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.152 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 66.56 148.37 0.05 OUTLIER 'General case' 0 C--N 1.356 0.851 0 O-C-N 123.945 0.778 . . . . 0.0 110.616 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.43 61.24 0.38 Allowed Glycine 0 C--N 1.355 1.615 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.8 m -111.56 73.88 0.84 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -154.98 -62.52 0.12 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.879 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -126.37 -98.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.923 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.12 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -174.55 61.7 0.02 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-N 121.347 1.885 . . . . 0.0 108.082 -176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -118.34 75.28 1.0 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 14' ' ' MET . 32.0 p90 -56.22 159.64 3.38 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.376 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -159.07 -61.25 0.07 Allowed 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.399 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.47 -41.53 84.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.52 -58.96 4.22 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.288 0.949 . . . . 0.0 112.022 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' CE1' ' A' ' 10' ' ' TYR . 89.9 mtp -79.25 -38.99 34.21 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.762 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -54.1 -40.06 66.93 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.904 1.229 . . . . 0.0 109.837 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.54 -43.97 93.33 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.346 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mm -62.96 -40.38 88.76 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 119.159 0.89 . . . . 0.0 108.902 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -58.26 -41.95 85.38 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -65.57 -42.68 91.51 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.195 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -51.83 -43.51 63.18 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.757 1.162 . . . . 0.0 109.903 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.51 -43.74 89.23 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.639 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.94 -39.67 94.67 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.178 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.5 -47.24 88.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -56.55 -49.99 73.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.792 0.724 . . . . 0.0 109.583 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -50.32 -53.41 28.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.119 0.418 . . . . 0.0 110.403 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.03 -56.78 17.04 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.776 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.7 -41.5 86.42 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.463 0.574 . . . . 0.0 110.395 -173.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.08 70.97 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.503 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -76.8 -22.68 53.32 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.721 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -53.05 -50.58 64.03 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 121.555 1.979 . . . . 0.0 106.689 173.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.77 163.23 11.07 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 118.651 -1.083 . . . . 0.0 112.084 170.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm 45.55 61.43 2.61 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -154.38 159.82 41.34 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.325 -1.322 . . . . 0.0 108.851 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 79.77 52.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.9 m-20 45.85 68.47 0.58 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.886 -1.054 . . . . 0.0 111.156 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -58.63 88.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.349 0.977 . . . . 0.0 109.399 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' ASP . 61.0 mttp -143.7 50.21 1.37 Allowed 'General case' 0 C--N 1.352 0.709 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 50.39 57.25 6.8 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -172.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -124.08 93.55 3.95 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.146 -169.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.9 tt 40.63 84.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 0 CA-C-N 118.496 0.589 . . . . 0.0 112.386 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 t -44.92 -37.39 3.91 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.367 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 . . . . . 0 C--N 1.356 0.856 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.143 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.9 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.27 165.92 30.5 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.314 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -164.1 164.71 22.77 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.867 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.17 55.75 28.95 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.366 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' ILE . 87.7 m -57.98 -56.92 15.78 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.895 -1.05 . . . . 0.0 108.174 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.2 t80 42.59 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.435 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 5' ' ' THR . 70.1 mt -135.3 147.83 28.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 177.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -145.98 55.6 1.18 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.536 1.516 . . . . 0.0 110.686 -173.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 39.98 52.32 2.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.654 0.596 . . . . 0.0 111.953 176.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -61.92 -30.91 71.21 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.561 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.4 m -53.04 -43.08 66.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 109.126 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.8 mt -80.33 79.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.45 -60.88 0.06 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.835 -0.603 . . . . 0.0 109.558 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.44 -47.75 59.18 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.69 -48.78 69.19 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.066 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -54.19 -47.07 72.47 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.819 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -58.77 -40.09 78.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.427 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -60.82 -46.99 88.38 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.313 0.96 . . . . 0.0 109.868 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -61.77 -51.59 67.7 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -45.08 41.11 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.043 0.838 . . . . 0.0 110.604 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -57.6 -45.68 85.0 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.352 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -62.14 -38.21 88.1 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.74 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.16 -49.22 82.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -53.11 -49.5 66.37 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.678 1.126 . . . . 0.0 110.117 -178.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.24 -52.04 60.26 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.88 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.11 -48.12 81.17 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.254 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -55.33 -44.12 75.6 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.477 1.035 . . . . 0.0 109.344 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.51 79.61 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 119.414 -0.915 . . . . 0.0 108.758 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -96.85 73.7 2.63 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -143.79 -61.05 0.4 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.582 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.68 -110.17 3.91 Favored Glycine 0 C--N 1.355 1.623 0 N-CA-C 106.551 -2.619 . . . . 0.0 106.551 -171.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -157.94 71.82 0.62 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.329 2.065 . . . . 0.0 109.96 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -176.62 3.07 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 t30 57.6 46.62 17.33 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.17 0.895 . . . . 0.0 108.716 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -162.33 63.15 0.22 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -50.85 153.91 1.61 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.313 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.94 52.75 0.69 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.37 163.66 27.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -122.48 123.13 40.56 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.905 -1.521 . . . . 0.0 108.235 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.8 tp 35.15 66.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 119.712 1.142 . . . . 0.0 111.751 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.5 m -66.9 81.64 0.11 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 119.012 -0.518 . . . . 0.0 109.71 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 118.7 0.682 . . . . 0.0 109.997 -179.416 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.5 p90 . . . . . 0 CA--C 1.514 -0.441 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.74 158.72 23.29 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.811 1.187 . . . . 0.0 110.887 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -165.19 149.76 8.95 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.502 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.19 -65.78 0.1 Allowed Glycine 0 C--N 1.354 1.568 0 C-N-CA 119.257 -1.449 . . . . 0.0 112.255 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -164.01 172.77 13.42 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 117.935 0.868 . . . . 0.0 111.415 -174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -65.89 -43.73 87.41 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.8 tt -151.93 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.251 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -172.08 3.73 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.195 0.907 . . . . 0.0 109.108 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.68 -37.62 51.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.27 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -52.95 158.09 1.52 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.428 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -158.1 -62.17 0.08 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.574 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.4 mt -88.94 68.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.876 -2.639 . . . . 0.0 103.876 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 178.33 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -175.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.1 ttm -68.31 -43.06 78.48 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.63 -46.86 67.25 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.896 0.771 . . . . 0.0 109.625 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.31 -42.34 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.073 0.851 . . . . 0.0 109.798 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CE1' ' CE1' ' A' ' 22' ' ' PHE . 56.7 t-80 -55.75 -41.29 73.73 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.096 1.316 . . . . 0.0 110.158 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.77 -50.58 73.4 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -55.18 -44.96 75.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 118.705 0.684 . . . . 0.0 110.399 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.53 -44.48 76.74 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.06 0.845 . . . . 0.0 109.681 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 18' ' ' HIS . 3.5 m-85 -65.99 -37.68 86.57 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.467 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.82 -50.4 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 119.93 1.241 . . . . 0.0 107.662 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -54.54 -48.03 72.48 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.65 0.659 . . . . 0.0 109.886 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.65 -53.65 44.19 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.277 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.31 -47.43 85.44 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.258 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.94 -40.36 84.41 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.551 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.14 71.27 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.015 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -91.36 70.44 6.03 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -160.2 -64.73 0.07 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.95 46.65 0.49 Allowed Glycine 0 C--N 1.353 1.5 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -161.37 85.74 0.66 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -155.23 50.31 0.57 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.855 0.752 . . . . 0.0 110.636 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -88.73 71.48 8.73 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -156.95 95.04 1.48 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.498 -174.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.9 m95 52.97 69.37 0.7 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.036 0.835 . . . . 0.0 110.418 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -84.61 61.11 6.5 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 173.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -57.52 -38.34 74.49 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.58 88.53 0.14 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 168.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 pt -79.92 63.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.8 m -156.4 -60.25 0.1 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.114 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 C--N 1.357 0.903 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.109 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.97 164.99 38.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.732 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -161.46 58.02 0.28 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.38 0.536 . . . . 0.0 109.577 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.13 -70.85 0.86 Allowed Glycine 0 C--N 1.354 1.537 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.558 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.099 0.949 . . . . 0.0 110.451 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -55.37 -52.41 63.64 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.304 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 16.9 mm -89.77 -114.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 115.012 -2.423 . . . . 0.0 105.793 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -160.37 39.6 0.17 Allowed 'General case' 0 C--N 1.358 0.968 0 CA-C-N 124.137 3.153 . . . . 0.0 113.811 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 45.22 64.17 1.5 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.544 1.066 . . . . 0.0 111.273 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.51 130.95 37.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.169 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -168.42 -60.68 0.02 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.356 0.98 . . . . 0.0 110.039 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 12' ' ' ILE . 1.4 mp -86.07 84.0 2.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 101.724 -3.435 . . . . 0.0 101.724 173.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.3 -65.08 0.15 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.299 -176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.62 -45.05 92.03 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.8 -49.08 69.09 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.335 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.22 -44.75 71.94 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.182 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.08 -41.03 91.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 119.775 -0.77 . . . . 0.0 108.956 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.78 -40.18 91.63 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 119.394 0.997 . . . . 0.0 109.554 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.3 -44.56 94.64 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -45.05 74.55 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.195 0.907 . . . . 0.0 108.825 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.626 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -61.11 -38.32 85.92 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.277 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.49 -48.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -52.83 -49.44 65.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.528 1.058 . . . . 0.0 109.899 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -58.01 -49.72 75.88 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.906 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.32 -48.03 81.63 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.478 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.14 -44.53 83.49 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.84 87.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.626 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -122.32 65.42 0.94 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 118.693 0.679 . . . . 0.0 110.12 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -82.54 -40.31 21.14 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 168.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.97 56.17 2.25 Favored Glycine 0 C--N 1.356 1.656 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm 47.35 59.42 4.1 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 117.736 0.768 . . . . 0.0 109.298 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.26 156.18 32.06 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.01 -1.471 . . . . 0.0 108.898 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -122.21 57.25 1.08 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.081 1.31 . . . . 0.0 108.405 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t70 41.1 61.27 1.79 Allowed 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.573 0.546 . . . . 0.0 111.55 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -47.29 141.46 4.64 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.786 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.55 54.56 0.26 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.339 0.972 . . . . 0.0 110.376 -170.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.9 t60 69.96 136.35 0.04 OUTLIER 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.089 -173.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -158.36 53.49 0.44 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.739 1.154 . . . . 0.0 110.904 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 tp -153.6 53.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.0 m -74.67 -56.95 4.26 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.488 0.661 . . . . 0.0 110.433 178.266 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.572 -0.728 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.7 mtp -65.7 -43.91 87.73 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 173.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.55 -45.01 81.46 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.69 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.53 -41.61 94.82 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.48 -46.59 96.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -52.89 -45.14 67.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.357 0.981 . . . . 0.0 110.011 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -59.86 -48.12 82.98 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.888 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.58 -37.73 73.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.54 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.92 -45.25 86.83 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.099 0.863 . . . . 0.0 108.752 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -64.48 -37.79 88.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.385 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.06 -52.7 47.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 119.792 1.178 . . . . 0.0 108.283 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -53.35 -49.43 67.13 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.719 1.145 . . . . 0.0 110.349 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -49.6 -49.42 46.81 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.915 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.11 -52.21 66.68 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.934 -1.031 . . . . 0.0 108.487 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.354 0.761 0 CA-C-N 119.389 0.995 . . . . 0.0 109.679 -177.063 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -43.85 67.89 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 174.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -49.84 -44.3 49.4 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.105 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.92 -49.0 72.36 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 119.309 0.959 . . . . 0.0 109.249 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.81 -41.84 83.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 108.772 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.43 -40.46 91.18 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.495 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -65.48 -44.28 87.61 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.87 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -56.89 -41.78 78.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.477 1.035 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -60.36 -43.94 96.05 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.289 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -63.49 -41.12 98.57 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.168 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.66 -50.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.01 -48.16 67.74 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.701 0.682 . . . . 0.0 109.63 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -56.73 -51.9 67.05 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.815 -0.612 . . . . 0.0 109.968 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.05 -42.03 79.79 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.289 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.352 0.677 0 CA-C-N 119.926 1.239 . . . . 0.0 109.086 -179.231 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -66.52 -43.46 85.16 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.18 -44.37 42.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.579 0.627 . . . . 0.0 110.642 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.53 -42.31 98.63 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.251 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.76 -47.1 90.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -53.42 -43.92 68.37 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.917 0.78 . . . . 0.0 109.825 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -60.27 -42.87 96.3 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.182 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.78 -42.32 68.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.133 0.879 . . . . 0.0 109.871 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.04 -44.8 75.03 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.59 1.087 . . . . 0.0 109.91 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.068 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.86 -46.23 87.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 119.56 1.073 . . . . 0.0 108.176 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.9 -47.71 76.93 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.055 0.843 . . . . 0.0 109.563 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.51 -48.57 68.89 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.315 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.04 -48.35 82.08 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 119.406 -0.918 . . . . 0.0 109.176 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.351 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 109.514 -178.52 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -72.71 -50.89 21.81 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.44 -40.39 86.65 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -53.81 -50.48 66.03 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.73 -41.74 91.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.24 -42.54 69.98 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.305 0.957 . . . . 0.0 109.414 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.49 -37.5 80.16 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.168 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -51.46 -37.02 46.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.147 1.34 . . . . 0.0 110.062 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -52.24 -44.62 64.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.597 1.09 . . . . 0.0 109.88 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -56.59 -39.04 72.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -54.88 -49.79 67.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 119.673 1.124 . . . . 0.0 108.394 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -58.07 -52.58 64.95 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.767 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -50.34 -46.58 55.83 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.827 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.9 -54.17 30.03 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.353 0.723 0 CA-C-N 119.498 1.045 . . . . 0.0 109.335 -179.782 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.93 -46.95 82.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -48.43 76.37 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.231 176.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.2 -43.12 64.05 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.873 0.76 . . . . 0.0 110.295 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.37 -46.36 95.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -54.66 -41.2 69.86 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.155 0.889 . . . . 0.0 110.077 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.87 -45.14 95.06 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -53.56 -37.17 62.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.75 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -46.96 76.18 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.063 1.301 . . . . 0.0 109.578 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -62.37 -39.45 93.2 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.519 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.45 -47.64 84.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -55.38 -48.3 74.51 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.861 0.755 . . . . 0.0 109.725 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -55.4 -51.2 67.61 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.027 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.84 -49.97 75.72 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.111 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.352 0.693 0 CA-C-N 118.746 0.703 . . . . 0.0 109.81 -179.105 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 51.1 ttm -58.59 -50.46 73.72 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.89 -47.08 74.74 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -48.36 -44.74 34.77 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.54 1.064 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.84 -44.62 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.628 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -57.16 -46.71 82.52 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.972 0.806 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -57.11 -45.61 83.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.672 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.04 -41.06 77.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.567 1.076 . . . . 0.0 109.892 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.27 -43.95 88.17 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.313 0.96 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.74 -37.57 88.04 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.866 -1.064 . . . . 0.0 108.936 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.41 -48.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.123 1.329 . . . . 0.0 107.879 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.57 -50.36 63.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.526 1.057 . . . . 0.0 110.112 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -56.18 -48.5 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.42 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.15 -45.53 92.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.171 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.352 0.703 0 CA-C-N 119.375 0.989 . . . . 0.0 108.44 178.61 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 69.6 mtm -64.07 -46.0 86.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.35 -44.14 75.67 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.041 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.2 -38.05 85.18 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.975 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.99 -47.24 88.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -53.48 -43.17 67.97 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.294 0.952 . . . . 0.0 110.156 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -61.84 -43.79 98.13 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -54.91 -42.62 72.41 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.933 0.788 . . . . 0.0 109.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.33 -45.14 76.38 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.2 0.909 . . . . 0.0 109.797 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.71 -38.08 89.79 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.081 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.0 t -58.21 -47.61 86.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 119.784 1.175 . . . . 0.0 108.126 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.82 -48.94 72.17 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.505 1.048 . . . . 0.0 109.961 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -51.96 -50.04 62.0 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.051 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.95 -44.84 96.7 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.83 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.353 0.731 0 CA-C-N 119.362 0.983 . . . . 0.0 108.768 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -61.58 -46.73 88.62 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.75 -44.63 77.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.885 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.62 -45.48 89.12 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.692 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.25 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -59.53 -39.55 84.28 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.348 0.976 . . . . 0.0 109.078 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.59 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -56.54 -41.88 77.54 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 118.65 -0.691 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.05 -44.13 67.2 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 119.28 0.945 . . . . 0.0 109.392 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -64.38 -40.47 95.88 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.885 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.53 -51.93 45.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 119.888 1.222 . . . . 0.0 108.039 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -55.24 -50.0 70.57 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.878 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.49 -51.81 61.59 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.512 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -46.41 87.08 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.494 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.352 0.715 0 CA-C-N 119.032 0.833 . . . . 0.0 109.93 -177.636 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -57.52 -51.35 69.81 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.0 -46.68 71.81 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.922 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.39 -45.53 69.32 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.927 0.785 . . . . 0.0 109.706 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.69 -46.66 91.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -53.97 -42.52 69.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.302 0.956 . . . . 0.0 110.422 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.61 -40.82 88.79 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.122 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -55.99 -39.46 71.87 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.446 1.021 . . . . 0.0 109.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.79 -47.2 80.72 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.595 1.088 . . . . 0.0 109.449 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.605 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.2 -54.26 34.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -53.32 -50.77 64.27 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.014 0.824 . . . . 0.0 110.566 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -46.35 -50.28 16.6 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.303 0.501 . . . . 0.0 110.755 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.7 -49.47 68.41 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 119.659 -0.817 . . . . 0.0 109.715 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.353 0.738 0 CA-C-N 118.827 0.739 . . . . 0.0 110.372 -175.534 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.46 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.7 ttm -61.92 -48.77 78.94 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.54 -45.83 80.97 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.058 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -57.77 -45.52 85.84 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.27 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.05 -46.98 86.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -53.9 -41.29 67.46 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.43 -44.27 87.86 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.49 -37.22 62.52 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.476 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.89 -42.99 63.13 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.054 1.297 . . . . 0.0 109.892 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.215 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.95 -50.68 67.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -54.28 -47.55 72.21 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.968 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.24 -52.51 64.2 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.121 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.31 -42.79 82.5 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.795 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.352 0.697 0 CA-C-N 119.067 0.849 . . . . 0.0 109.392 179.559 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.8 tpp -59.15 -47.39 85.47 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.761 1.164 . . . . 0.0 107.888 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -55.02 -52.99 61.44 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -50.56 -43.3 56.24 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.14 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mm -56.09 -42.12 71.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.747 1.158 . . . . 0.0 108.834 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -55.39 -46.43 76.57 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.019 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -61.42 -45.78 92.89 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.125 -0.94 . . . . 0.0 108.788 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.8 -40.39 66.3 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.491 1.041 . . . . 0.0 110.123 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -59.13 -46.76 87.5 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.22 0.918 . . . . 0.0 109.65 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -63.49 -38.78 92.44 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.591 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.28 -49.23 84.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -53.05 -49.22 66.79 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.159 0.89 . . . . 0.0 109.76 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -53.35 -52.16 60.13 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.208 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.4 -46.42 86.43 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.489 -0.885 . . . . 0.0 109.379 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.351 0.657 0 CA-C-N 118.966 0.803 . . . . 0.0 109.515 -179.715 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.47 -49.56 64.44 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.225 173.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.9 -43.68 77.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.183 0.901 . . . . 0.0 110.193 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.59 -39.93 84.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 119.18 0.9 . . . . 0.0 108.706 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.67 -38.79 89.07 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.302 0.955 . . . . 0.0 109.186 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.68 -48.26 80.1 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.96 -43.77 66.63 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.256 0.935 . . . . 0.0 109.776 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.16 -45.21 93.83 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.236 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -57.54 -38.83 75.37 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.916 0.78 . . . . 0.0 110.615 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.44 -34.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -46.55 -43.41 17.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.017 1.281 . . . . 0.0 110.647 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.6 t90 -60.26 -48.87 79.9 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.933 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.29 -30.39 69.44 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.177 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.355 0.838 0 CA-C-N 120.169 1.35 . . . . 0.0 110.936 -179.533 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -69.79 -46.2 66.25 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -43.48 44.94 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.058 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -58.53 -46.32 87.04 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.333 0.969 . . . . 0.0 108.966 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.42 -43.62 82.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 119.576 1.08 . . . . 0.0 108.665 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -61.77 -39.55 92.06 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.802 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -64.68 -49.14 72.12 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.96 -42.18 62.68 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.568 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.36 -46.9 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.378 0.99 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -65.38 -38.8 91.11 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.759 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.5 -46.48 95.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.06 -50.02 70.18 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 109.058 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -52.56 -51.47 59.57 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.197 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.95 -54.15 48.47 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.681 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.352 0.684 0 CA-C-N 119.37 0.986 . . . . 0.0 109.607 -177.313 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.996 -0.526 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.475 ' SD ' ' CE1' ' A' ' 18' ' ' HIS . 13.1 tmm? -55.17 -49.53 71.64 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.415 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.19 -44.78 79.73 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -56.64 -42.17 78.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.016 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mm -61.95 -45.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' CE1' ' SD ' ' A' ' 14' ' ' MET . 33.2 m170 -60.21 -43.14 96.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.446 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.6 -42.51 96.91 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.062 0.847 . . . . 0.0 109.041 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -58.28 -39.66 79.87 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.381 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.43 -41.99 77.34 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.44 1.018 . . . . 0.0 110.202 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -61.61 -37.32 83.52 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.318 0.963 . . . . 0.0 109.757 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.53 -47.62 90.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 119.883 1.22 . . . . 0.0 107.957 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.1 -46.01 86.25 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.739 0.7 . . . . 0.0 110.246 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -50.79 -43.71 58.7 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.406 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.92 40.44 1.1 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.274 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--N 1.355 0.827 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 175.235 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -43.47 71.82 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -47.45 77.02 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.16 -41.81 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.952 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.16 -50.92 78.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.45 -42.05 61.29 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.895 0.77 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 mp0 -59.91 -53.71 54.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.796 -1.097 . . . . 0.0 109.258 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.71 69.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.471 1.487 . . . . 0.0 110.872 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.42 -43.32 99.08 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.034 1.288 . . . . 0.0 108.657 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -33.26 75.51 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.562 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.95 -46.1 97.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.589 1.541 . . . . 0.0 107.622 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -56.44 -45.99 80.54 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.147 0.885 . . . . 0.0 109.8 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.31 -50.82 64.16 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.736 0.698 . . . . 0.0 109.742 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.3 -2.87 40.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.049 -1.453 . . . . 0.0 112.892 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.355 0.817 0 CA-C-N 121.071 1.759 . . . . 0.0 110.047 177.013 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.7 mmt -67.74 -47.65 68.65 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 172.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.11 -44.13 82.94 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.719 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.85 -44.52 91.01 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.659 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.67 -42.57 94.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -56.7 -44.29 81.37 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.758 1.163 . . . . 0.0 109.247 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.53 -46.98 85.66 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.466 -0.894 . . . . 0.0 108.806 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.34 -45.29 76.42 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 118.993 0.815 . . . . 0.0 109.567 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.62 -42.95 93.83 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.629 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.12 -41.73 88.89 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.654 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.35 -31.84 54.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.652 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.1 -39.35 55.93 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.867 1.667 . . . . 0.0 110.699 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -54.44 -51.35 65.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.664 1.12 . . . . 0.0 109.109 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.35 -23.21 66.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.67 -1.634 . . . . 0.0 111.884 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 C--N 1.355 0.819 0 CA-C-N 121.477 1.944 . . . . 0.0 110.316 179.483 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.437 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 89.9 mtp -79.25 -38.99 34.21 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.762 -176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -54.1 -40.06 66.93 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.904 1.229 . . . . 0.0 109.837 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.54 -43.97 93.33 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.346 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mm -62.96 -40.38 88.76 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 119.159 0.89 . . . . 0.0 108.902 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -58.26 -41.95 85.38 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -65.57 -42.68 91.51 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.195 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -51.83 -43.51 63.18 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.757 1.162 . . . . 0.0 109.903 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.51 -43.74 89.23 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.639 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.94 -39.67 94.67 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.178 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.5 -47.24 88.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -56.55 -49.99 73.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.792 0.724 . . . . 0.0 109.583 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -50.32 -53.41 28.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.119 0.418 . . . . 0.0 110.403 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.03 -56.78 17.04 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.776 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--N 1.35 0.618 0 CA-C-N 118.463 0.574 . . . . 0.0 110.395 -173.251 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.835 -0.603 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.44 -47.75 59.18 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.69 -48.78 69.19 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.066 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -54.19 -47.07 72.47 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.819 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -58.77 -40.09 78.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.427 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -60.82 -46.99 88.38 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.313 0.96 . . . . 0.0 109.868 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -61.77 -51.59 67.7 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -45.08 41.11 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.043 0.838 . . . . 0.0 110.604 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -57.6 -45.68 85.0 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.352 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -62.14 -38.21 88.1 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.74 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.16 -49.22 82.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -53.11 -49.5 66.37 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.678 1.126 . . . . 0.0 110.117 -178.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.24 -52.04 60.26 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.88 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.11 -48.12 81.17 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.254 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.351 0.656 0 CA-C-N 119.477 1.035 . . . . 0.0 109.344 -178.482 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.1 ttm -68.31 -43.06 78.48 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.63 -46.86 67.25 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.896 0.771 . . . . 0.0 109.625 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.31 -42.34 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.073 0.851 . . . . 0.0 109.798 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CE1' ' CE1' ' A' ' 22' ' ' PHE . 56.7 t-80 -55.75 -41.29 73.73 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.096 1.316 . . . . 0.0 110.158 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.77 -50.58 73.4 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -55.18 -44.96 75.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 118.705 0.684 . . . . 0.0 110.399 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.53 -44.48 76.74 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.06 0.845 . . . . 0.0 109.681 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 18' ' ' HIS . 3.5 m-85 -65.99 -37.68 86.57 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.467 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.82 -50.4 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 119.93 1.241 . . . . 0.0 107.662 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -54.54 -48.03 72.48 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.65 0.659 . . . . 0.0 109.886 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.65 -53.65 44.19 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.277 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.31 -47.43 85.44 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.258 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.351 0.663 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.551 -179.792 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.62 -45.05 92.03 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.8 -49.08 69.09 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.335 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.22 -44.75 71.94 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.182 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.08 -41.03 91.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 119.775 -0.77 . . . . 0.0 108.956 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.78 -40.18 91.63 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 119.394 0.997 . . . . 0.0 109.554 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.3 -44.56 94.64 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -45.05 74.55 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.195 0.907 . . . . 0.0 108.825 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.626 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -61.11 -38.32 85.92 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.277 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.49 -48.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -52.83 -49.44 65.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.528 1.058 . . . . 0.0 109.899 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -58.01 -49.72 75.88 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.906 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.32 -48.03 81.63 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.478 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.352 0.689 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.683 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.3 p90 . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.17 165.31 20.62 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.95 163.7 28.87 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.02 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.25 -175.52 41.06 Favored Glycine 0 C--N 1.353 1.493 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.189 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.2 m -65.89 -52.34 50.91 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.831 1.316 . . . . 0.0 108.416 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -62.29 -44.36 96.71 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.35 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.73 -55.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -99.07 55.52 1.01 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.466 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.55 -45.03 95.89 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 167.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -58.2 164.82 2.21 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.863 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -153.4 -62.17 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.681 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -87.87 77.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.56 -61.34 0.11 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.572 -0.728 . . . . 0.0 109.811 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.7 mtp -65.7 -43.91 87.73 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 173.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.55 -45.01 81.46 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.69 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.53 -41.61 94.82 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.48 -46.59 96.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -52.89 -45.14 67.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.357 0.981 . . . . 0.0 110.011 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -59.86 -48.12 82.98 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.888 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -57.58 -37.73 73.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.54 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.92 -45.25 86.83 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.099 0.863 . . . . 0.0 108.752 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -64.48 -37.79 88.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.385 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.06 -52.7 47.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 119.792 1.178 . . . . 0.0 108.283 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -53.35 -49.43 67.13 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.719 1.145 . . . . 0.0 110.349 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -49.6 -49.42 46.81 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.915 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.11 -52.21 66.68 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.934 -1.031 . . . . 0.0 108.487 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.8 mt -48.77 -47.67 41.67 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.389 0.995 . . . . 0.0 109.679 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.32 84.42 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.104 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -103.71 25.03 10.29 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.247 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -77.0 -56.2 4.79 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.806 1.639 . . . . 0.0 107.43 172.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -178.47 -57.89 0.07 OUTLIER Glycine 0 C--N 1.353 1.51 0 C-N-CA 119.333 -1.413 . . . . 0.0 112.236 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt 60.56 79.22 0.25 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 117.761 0.78 . . . . 0.0 110.739 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.84 49.51 1.21 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.242 0.474 . . . . 0.0 110.431 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -79.12 81.54 5.37 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -130.42 63.27 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -68.6 89.64 0.37 Allowed 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.996 -0.526 . . . . 0.0 109.656 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? 57.96 72.87 0.5 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 117.879 0.309 . . . . 0.0 110.982 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -64.42 -19.62 65.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 116.626 -1.654 . . . . 0.0 109.873 168.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 t30 69.8 91.33 0.09 Allowed 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mt 63.78 70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 t -54.35 161.06 1.48 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.453 -0.785 . . . . 0.0 110.638 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 C--N 1.354 0.803 0 CA-C-N 118.417 0.553 . . . . 0.0 110.091 -177.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.49 56.33 1.22 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -114.96 166.64 11.57 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.743 0.652 . . . . 0.0 109.767 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.68 43.49 1.17 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 m -91.6 59.37 3.76 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -169.99 -56.89 0.02 OUTLIER 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.792 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.2 mt -147.09 129.32 7.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m -152.64 52.84 0.77 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.474 1.488 . . . . 0.0 109.481 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 60.65 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -65.46 -22.06 66.71 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.945 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -56.34 -44.73 80.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.576 1.534 . . . . 0.0 107.316 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.89 75.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 166.86 -53.65 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -43.85 67.89 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 174.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -49.84 -44.3 49.4 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.105 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -54.92 -49.0 72.36 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 119.309 0.959 . . . . 0.0 109.249 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.81 -41.84 83.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 108.772 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.43 -40.46 91.18 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.495 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -65.48 -44.28 87.61 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.87 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -56.89 -41.78 78.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.477 1.035 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -60.36 -43.94 96.05 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.289 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -63.49 -41.12 98.57 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.168 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.66 -50.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.01 -48.16 67.74 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.701 0.682 . . . . 0.0 109.63 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -56.73 -51.9 67.05 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.815 -0.612 . . . . 0.0 109.968 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.05 -42.03 79.79 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.289 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.76 -43.36 90.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.926 1.239 . . . . 0.0 109.086 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.07 86.66 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.574 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.31 -39.07 92.0 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.781 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -54.01 -41.14 67.65 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.989 0.813 . . . . 0.0 109.542 -176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.63 46.33 93.95 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -131.71 73.0 1.51 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -154.77 151.3 28.52 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.409 -1.282 . . . . 0.0 109.135 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -156.58 60.42 0.55 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.997 1.271 . . . . 0.0 110.723 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -144.54 50.61 1.28 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -152.86 173.11 15.76 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.272 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 55.59 54.03 8.9 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -99.58 48.07 0.95 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.93 53.32 1.15 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.3 mm -82.0 148.18 5.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.5 m 54.21 62.7 2.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 C--N 1.354 0.785 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.358 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.1 p90 . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.79 159.63 0.09 Allowed 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.752 0.658 . . . . 0.0 111.424 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -169.87 170.29 7.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.932 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.51 66.42 0.1 Allowed Glycine 0 C--N 1.353 1.483 0 C-N-CA 119.511 -1.328 . . . . 0.0 111.396 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -103.87 34.04 3.18 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.26 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.612 0.642 . . . . 0.0 109.297 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -143.26 147.36 20.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p -157.5 58.19 0.5 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.473 1.488 . . . . 0.0 111.389 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.76 -38.26 90.43 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -40.64 -39.88 1.16 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.402 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -44.95 -48.04 11.37 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.608 1.095 . . . . 0.0 110.206 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -84.35 82.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.18 -55.93 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 118.199 0.454 . . . . 0.0 110.536 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -66.52 -43.46 85.16 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.18 -44.37 42.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.579 0.627 . . . . 0.0 110.642 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.53 -42.31 98.63 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.251 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.76 -47.1 90.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -53.42 -43.92 68.37 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.917 0.78 . . . . 0.0 109.825 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -60.27 -42.87 96.3 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.182 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.78 -42.32 68.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.133 0.879 . . . . 0.0 109.871 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.04 -44.8 75.03 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.59 1.087 . . . . 0.0 109.91 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.068 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.86 -46.23 87.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 119.56 1.073 . . . . 0.0 108.176 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.9 -47.71 76.93 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.055 0.843 . . . . 0.0 109.563 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.51 -48.57 68.89 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.315 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.04 -48.35 82.08 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 119.406 -0.918 . . . . 0.0 109.176 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.04 -41.89 79.49 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 109.514 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.83 86.33 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.211 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -97.35 70.58 2.31 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -155.03 -60.39 0.11 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.556 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.91 68.74 1.5 Allowed Glycine 0 C--N 1.355 1.611 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -144.53 77.23 1.53 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -156.91 53.23 0.51 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.602 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -100.71 53.51 0.86 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.24 61.54 0.15 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.419 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -157.56 127.45 6.15 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.549 -1.215 . . . . 0.0 109.835 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -150.1 58.7 0.97 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -148.4 -166.49 2.55 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.636 -1.173 . . . . 0.0 108.789 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -143.59 54.19 1.33 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.962 1.256 . . . . 0.0 109.195 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.5 mm -111.17 144.16 19.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -85.32 76.26 10.15 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.55 54.14 10.13 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.81 0.732 . . . . 0.0 109.237 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -157.05 152.45 26.52 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.891 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.57 166.39 32.78 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.306 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -64.76 -66.1 0.59 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -148.51 49.08 1.02 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-N 118.861 0.755 . . . . 0.0 109.581 171.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.9 mt -143.74 138.56 25.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.074 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 t -103.92 52.23 0.77 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 120.273 1.397 . . . . 0.0 108.68 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 36.98 53.92 1.16 Allowed 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.524 0.515 . . . . 0.0 112.37 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -61.21 -34.75 75.6 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.786 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.3 m -53.99 -44.29 70.71 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.028 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.4 mt -90.67 67.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.79 -56.14 0.02 OUTLIER 'General case' 0 C--N 1.353 0.757 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -72.71 -50.89 21.81 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.44 -40.39 86.65 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -53.81 -50.48 66.03 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.73 -41.74 91.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.24 -42.54 69.98 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.305 0.957 . . . . 0.0 109.414 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.49 -37.5 80.16 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.168 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -51.46 -37.02 46.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.147 1.34 . . . . 0.0 110.062 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -52.24 -44.62 64.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.597 1.09 . . . . 0.0 109.88 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -56.59 -39.04 72.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -54.88 -49.79 67.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 119.673 1.124 . . . . 0.0 108.394 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -58.07 -52.58 64.95 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.767 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -50.34 -46.58 55.83 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.827 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.9 -54.17 30.03 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.4 mt -49.62 -46.47 49.35 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.498 1.045 . . . . 0.0 109.335 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.06 95.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.122 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -103.26 49.08 0.84 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.462 0.574 . . . . 0.0 110.723 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.3 -67.68 0.4 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 173.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.78 64.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -164.25 102.84 0.85 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.049 0.924 . . . . 0.0 108.852 -176.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.81 163.92 14.11 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.873 -1.061 . . . . 0.0 109.76 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -137.77 51.21 1.91 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.916 0.78 . . . . 0.0 109.671 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -99.46 53.48 0.95 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -155.93 166.47 33.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.254 -172.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -136.42 58.18 1.75 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -132.42 175.84 8.94 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.191 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -84.2 62.94 7.42 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.12 0.873 . . . . 0.0 109.36 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 68.06 164.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 118.65 0.659 . . . . 0.0 110.063 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 m -73.48 93.93 2.05 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 . . . . . 0 C--N 1.355 0.806 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.164 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.8 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.99 155.1 5.43 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.133 -0.937 . . . . 0.0 111.13 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -167.86 151.13 5.95 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.063 -1.446 . . . . 0.0 109.105 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.5 -80.68 0.12 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 107.425 -2.27 . . . . 0.0 107.425 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.9 p -143.65 -77.59 0.23 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.6 -49.0 28.41 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 172.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -158.87 154.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.033 -174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 t 131.58 143.69 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.089 -1.434 . . . . 0.0 107.328 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -153.05 64.03 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.8 1.182 . . . . 0.0 110.374 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -60.65 -30.42 69.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.516 -0.873 . . . . 0.0 109.663 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -47.82 -43.39 27.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.312 0.96 . . . . 0.0 109.354 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.5 mt -88.16 70.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.58 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.93 -46.95 82.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -48.43 76.37 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.231 176.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.2 -43.12 64.05 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.873 0.76 . . . . 0.0 110.295 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.37 -46.36 95.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -54.66 -41.2 69.86 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.155 0.889 . . . . 0.0 110.077 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.87 -45.14 95.06 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -53.56 -37.17 62.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.75 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -46.96 76.18 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.063 1.301 . . . . 0.0 109.578 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -62.37 -39.45 93.2 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.519 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.45 -47.64 84.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -55.38 -48.3 74.51 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.861 0.755 . . . . 0.0 109.725 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -55.4 -51.2 67.61 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.027 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.84 -49.97 75.72 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.111 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.69 -41.52 77.47 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.746 0.703 . . . . 0.0 109.81 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.47 93.3 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.768 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -87.82 74.77 9.01 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -124.54 44.32 2.79 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.26 -70.85 1.23 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 106.559 -2.616 . . . . 0.0 106.559 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt 48.85 49.33 19.27 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 117.345 0.572 . . . . 0.0 109.512 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -166.68 147.99 6.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.753 -1.594 . . . . 0.0 109.353 -174.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.25 49.61 0.81 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.364 1.438 . . . . 0.0 108.307 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -169.99 57.14 0.04 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -60.64 -45.31 94.55 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp 55.93 74.56 0.38 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.594 166.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -118.84 51.75 1.09 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -159.04 58.49 0.42 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 tt -57.19 144.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-O 118.033 -0.985 . . . . 0.0 109.372 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -58.06 146.86 31.48 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.723 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 . . . . . 0 C--N 1.355 0.826 0 CA-C-N 119.415 1.007 . . . . 0.0 109.517 178.353 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.2 p90 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.86 53.67 0.71 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.34 0.518 . . . . 0.0 109.983 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.34 166.41 3.91 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.885 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.71 79.85 0.45 Allowed Glycine 0 C--N 1.355 1.614 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p 45.34 45.63 10.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.494 1.147 . . . . 0.0 108.528 -173.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -81.15 -62.62 1.61 Allowed 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -141.72 146.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 p -151.57 66.82 0.88 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -168.8 -57.71 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.489 0.493 . . . . 0.0 110.103 -168.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -55.65 152.71 8.94 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.742 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 m -49.57 -48.1 48.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.256 0.935 . . . . 0.0 111.562 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.07 69.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 177.38 -56.91 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 51.1 ttm -58.59 -50.46 73.72 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.89 -47.08 74.74 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -48.36 -44.74 34.77 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.54 1.064 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.84 -44.62 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.628 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -57.16 -46.71 82.52 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.972 0.806 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -57.11 -45.61 83.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.672 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.04 -41.06 77.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.567 1.076 . . . . 0.0 109.892 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.27 -43.95 88.17 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.313 0.96 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.74 -37.57 88.04 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.866 -1.064 . . . . 0.0 108.936 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.41 -48.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.123 1.329 . . . . 0.0 107.879 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.57 -50.36 63.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.526 1.057 . . . . 0.0 110.112 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -56.18 -48.5 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.42 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.15 -45.53 92.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.171 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -54.2 -46.88 72.56 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.375 0.989 . . . . 0.0 108.44 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.65 78.32 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.201 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -130.65 61.05 1.62 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-N 119.417 1.008 . . . . 0.0 111.139 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.26 -53.04 10.57 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.04 40.87 2.68 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 118.563 -1.131 . . . . 0.0 112.209 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -147.64 68.22 1.12 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.22 -158.89 0.9 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 116.988 -1.482 . . . . 0.0 107.045 -170.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 t30 49.58 51.67 15.99 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.997 1.726 . . . . 0.0 107.519 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.11 -179.62 3.84 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 123.985 0.803 . . . . 0.0 109.787 -172.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.4 m-90 -132.73 59.43 1.73 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -90.76 61.15 4.69 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 44.8 49.61 8.91 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -158.28 69.16 0.5 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.14 -173.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.316 14.1 tt 54.19 155.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.668 1.23 . . . . 0.0 113.479 177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.3 p -59.22 -34.53 72.29 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.274 -1.517 . . . . 0.0 110.791 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--N 1.355 0.836 0 CA-C-N 118.853 0.751 . . . . 0.0 109.203 177.374 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.37 57.71 0.51 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.668 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.73 161.3 10.29 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.485 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.44 -74.1 0.13 Allowed Glycine 0 C--N 1.355 1.61 0 N-CA-C 107.684 -2.166 . . . . 0.0 107.684 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 16.8 m -144.03 -72.66 0.28 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.427 ' CG ' ' O ' ' A' ' 5' ' ' THR . 37.5 m-85 -165.25 -57.8 0.03 OUTLIER 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.011 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -109.43 59.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.972 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 t 41.4 44.58 2.45 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.63 -60.0 2.48 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.894 -0.723 . . . . 0.0 109.924 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -72.56 -30.38 64.37 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.735 -1.126 . . . . 0.0 111.767 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -31.71 -43.0 0.06 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.57 84.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 178.69 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 69.6 mtm -64.07 -46.0 86.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.35 -44.14 75.67 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.041 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.2 -38.05 85.18 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.753 -0.779 . . . . 0.0 109.975 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.99 -47.24 88.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -53.48 -43.17 67.97 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.294 0.952 . . . . 0.0 110.156 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -61.84 -43.79 98.13 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -54.91 -42.62 72.41 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.933 0.788 . . . . 0.0 109.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.33 -45.14 76.38 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.2 0.909 . . . . 0.0 109.797 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.71 -38.08 89.79 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.081 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.0 t -58.21 -47.61 86.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 119.784 1.175 . . . . 0.0 108.126 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.82 -48.94 72.17 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.505 1.048 . . . . 0.0 109.961 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -51.96 -50.04 62.0 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.051 176.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.95 -44.84 96.7 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.83 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.04 -47.54 80.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.362 0.983 . . . . 0.0 108.768 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.61 87.51 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.742 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -104.99 56.75 0.69 Allowed 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -96.29 163.91 12.88 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.679 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.83 -72.03 1.21 Allowed Glycine 0 C--N 1.355 1.592 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -149.89 69.39 1.02 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -131.12 -179.74 5.52 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 60.6 41.25 15.64 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 118.404 0.547 . . . . 0.0 110.46 176.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -83.15 86.78 6.96 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -59.56 145.75 43.19 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.154 -0.926 . . . . 0.0 110.114 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.07 47.18 2.36 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -146.1 54.31 1.15 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -154.24 -173.33 4.53 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.549 -1.691 . . . . 0.0 107.651 -173.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.0 tt -43.85 123.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-N 121.218 1.826 . . . . 0.0 109.563 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.1 p -87.95 -37.7 16.18 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.378 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--N 1.356 0.866 0 CA-C-N 119.624 1.102 . . . . 0.0 109.219 -179.466 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 p90 . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 118.234 -0.889 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.91 67.59 0.98 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.819 0.736 . . . . 0.0 110.63 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.98 160.3 43.01 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.14 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.96 43.31 1.67 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 m -62.25 -48.97 77.58 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -113.14 29.82 7.68 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.886 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -137.59 137.38 45.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.9 p -162.54 59.21 0.22 Allowed 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.75 1.159 . . . . 0.0 109.277 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -108.56 58.7 0.61 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -60.75 -28.18 68.51 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.665 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.5 t -42.84 -41.59 3.32 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.668 1.122 . . . . 0.0 110.268 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mm -83.7 77.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.67 -59.77 0.08 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.648 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -61.58 -46.73 88.62 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.75 -44.63 77.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.885 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.62 -45.48 89.12 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.692 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.25 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -59.53 -39.55 84.28 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.348 0.976 . . . . 0.0 109.078 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.59 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -56.54 -41.88 77.54 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 118.65 -0.691 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.05 -44.13 67.2 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 119.28 0.945 . . . . 0.0 109.392 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -64.38 -40.47 95.88 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.885 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -54.53 -51.93 45.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 119.888 1.222 . . . . 0.0 108.039 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -55.24 -50.0 70.57 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.878 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.49 -51.81 61.59 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.512 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -46.41 87.08 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.494 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.36 -45.44 88.2 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.032 0.833 . . . . 0.0 109.93 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.49 -39.09 60.82 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.062 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -91.09 62.11 4.75 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.192 0.451 . . . . 0.0 110.997 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -132.82 51.34 2.16 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.27 51.13 53.0 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 107.749 -2.14 . . . . 0.0 107.749 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -148.8 74.02 1.25 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -173.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -164.67 166.52 19.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.236 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.27 52.9 1.89 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 38.37 40.07 0.33 Allowed 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.642 0.589 . . . . 0.0 111.696 -177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -63.59 -30.47 71.57 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.264 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.28 83.25 0.09 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.69 -139.76 0.09 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.193 -1.86 . . . . 0.0 108.247 -176.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -78.1 74.28 4.65 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 122.166 2.257 . . . . 0.0 110.006 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.5 tt -149.02 52.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 m 69.17 141.03 0.04 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-O 118.441 -0.79 . . . . 0.0 108.974 -172.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.355 0.805 0 CA-C-N 119.52 1.055 . . . . 0.0 110.294 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 CA--C 1.511 -0.546 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.71 162.94 28.85 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.159 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.28 160.62 30.13 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.08 -57.19 0.61 Allowed Glycine 0 C--N 1.354 1.561 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.8 p -140.67 158.82 43.41 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.151 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.75 -36.68 85.1 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.111 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.6 tt -151.93 152.19 11.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.26 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.1 t -66.77 173.89 3.25 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.564 1.074 . . . . 0.0 109.188 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.1 50.49 1.02 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -70.73 159.22 34.89 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 m -42.08 -48.45 4.7 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.886 1.221 . . . . 0.0 112.305 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -85.27 76.19 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 163.8 -49.27 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -57.52 -51.35 69.81 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.0 -46.68 71.81 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.922 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.39 -45.53 69.32 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.927 0.785 . . . . 0.0 109.706 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.69 -46.66 91.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -53.97 -42.52 69.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.302 0.956 . . . . 0.0 110.422 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.61 -40.82 88.79 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.122 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -55.99 -39.46 71.87 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.446 1.021 . . . . 0.0 109.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.79 -47.2 80.72 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.595 1.088 . . . . 0.0 109.449 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.605 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.2 -54.26 34.83 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -53.32 -50.77 64.27 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.014 0.824 . . . . 0.0 110.566 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -46.35 -50.28 16.6 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.303 0.501 . . . . 0.0 110.755 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.7 -49.47 68.41 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 119.659 -0.817 . . . . 0.0 109.715 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.18 -41.61 75.76 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.827 0.739 . . . . 0.0 110.372 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.23 67.05 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.796 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.74 71.44 1.07 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -152.54 -66.66 0.16 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.05 47.75 0.29 Allowed Glycine 0 C--N 1.354 1.578 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.517 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 61.92 0.42 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -160.75 152.09 19.2 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.174 -1.393 . . . . 0.0 108.972 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 55.6 t-20 -114.31 59.89 0.68 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.667 1.122 . . . . 0.0 110.426 -173.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASN . 33.4 t70 22.71 87.99 0.01 OUTLIER 'General case' 0 C--N 1.355 0.845 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -55.41 162.57 1.5 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.258 0.935 . . . . 0.0 110.23 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -133.97 49.02 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -133.7 43.53 2.86 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -167.91 92.65 0.36 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.52 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 N-CA-C 105.153 -2.166 . . . . 0.0 105.153 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.5 p -87.67 160.79 17.99 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.472 1.033 . . . . 0.0 108.99 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 C--N 1.355 0.822 0 CA-C-O 121.514 0.673 . . . . 0.0 110.115 178.487 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.88 53.15 10.74 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.002 0.819 . . . . 0.0 109.598 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -160.59 153.11 20.76 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.777 -1.106 . . . . 0.0 110.141 -173.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.52 -96.99 0.09 OUTLIER Glycine 0 C--N 1.355 1.61 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.4 m 47.68 69.0 0.57 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.368 1.584 . . . . 0.0 109.314 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -155.72 -58.5 0.1 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.498 -1.239 . . . . 0.0 112.859 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.6 128.9 38.29 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t 41.42 44.68 2.5 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.54 1.064 . . . . 0.0 112.96 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.87 -49.09 18.93 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.115 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -127.46 46.43 2.54 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -172.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.0 p -77.96 -57.5 3.76 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.083 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -84.16 73.67 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.46 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.353 0.746 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.7 ttm -61.92 -48.77 78.94 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.54 -45.83 80.97 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.058 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -57.77 -45.52 85.84 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.27 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.05 -46.98 86.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -53.9 -41.29 67.46 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.43 -44.27 87.86 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -53.49 -37.22 62.52 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.476 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.89 -42.99 63.13 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.054 1.297 . . . . 0.0 109.892 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.215 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.95 -50.68 67.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -54.28 -47.55 72.21 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.968 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -56.24 -52.51 64.2 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.121 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.31 -42.79 82.5 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.795 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.57 -41.32 98.39 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.067 0.849 . . . . 0.0 109.392 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.73 76.63 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.224 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -101.86 82.69 2.28 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -126.08 45.86 2.55 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.19 49.07 14.86 Favored Glycine 0 C--N 1.355 1.631 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -158.81 117.6 3.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.48 -1.248 . . . . 0.0 109.5 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -164.92 147.98 8.47 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.768 1.167 . . . . 0.0 110.328 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -166.99 65.47 0.09 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.281 0.946 . . . . 0.0 108.943 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -155.47 78.12 1.0 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.746 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -45.33 -42.75 10.23 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.6 tttt 48.19 84.57 0.03 OUTLIER 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.521 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -72.15 -34.46 68.53 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.298 0.954 . . . . 0.0 109.118 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -68.56 82.88 0.27 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.845 0.748 . . . . 0.0 110.299 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.1 mt -113.35 147.59 16.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -62.45 157.88 19.09 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.863 1.211 . . . . 0.0 109.605 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.355 0.806 0 CA-C-N 118.619 0.645 . . . . 0.0 110.594 -178.676 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 117.624 -1.179 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.63 170.19 0.11 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 118.944 0.793 . . . . 0.0 111.19 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.15 175.01 11.44 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.971 0.805 . . . . 0.0 110.737 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.83 -65.35 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.4 p -128.77 64.98 1.43 Allowed 'General case' 0 C--N 1.354 0.799 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.14 -35.67 36.84 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.43 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -156.33 150.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.0 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -80.85 74.51 7.81 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.65 -62.04 0.11 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.111 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -120.22 53.54 1.08 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -118.85 35.6 4.75 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 mt -134.48 53.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.03 -71.9 0.09 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.8 tpp -59.15 -47.39 85.47 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.761 1.164 . . . . 0.0 107.888 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -55.02 -52.99 61.44 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -50.56 -43.3 56.24 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.14 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mm -56.09 -42.12 71.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.747 1.158 . . . . 0.0 108.834 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -55.39 -46.43 76.57 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.019 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -61.42 -45.78 92.89 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.125 -0.94 . . . . 0.0 108.788 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.8 -40.39 66.3 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.491 1.041 . . . . 0.0 110.123 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -59.13 -46.76 87.5 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.22 0.918 . . . . 0.0 109.65 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -63.49 -38.78 92.44 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.591 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.28 -49.23 84.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -53.05 -49.22 66.79 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.159 0.89 . . . . 0.0 109.76 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -53.35 -52.16 60.13 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.208 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.4 -46.42 86.43 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.489 -0.885 . . . . 0.0 109.379 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.25 -44.61 92.37 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.966 0.803 . . . . 0.0 109.515 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.8 66.54 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.942 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -126.64 64.69 1.27 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -83.46 -66.57 0.88 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.39 -68.27 0.98 Allowed Glycine 0 C--N 1.354 1.571 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.37 77.95 1.2 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt 68.81 161.85 0.2 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.21 40.2 0.69 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.792 0.724 . . . . 0.0 110.466 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.3 t70 176.35 152.5 0.17 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.495 -1.241 . . . . 0.0 110.471 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -90.73 -71.56 0.62 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -156.32 78.14 0.94 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.292 0.951 . . . . 0.0 109.347 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -131.97 54.95 1.9 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -148.7 54.01 1.0 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 tp -158.4 161.96 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-O 117.022 -1.466 . . . . 0.0 108.497 -170.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 t -134.92 163.79 29.06 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.135 1.334 . . . . 0.0 110.007 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 118.413 0.551 . . . . 0.0 109.529 -179.136 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 24.3 p90 . . . . . 0 CA--C 1.51 -0.568 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.4 62.14 2.84 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.13 41.55 1.34 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 118.904 -0.57 . . . . 0.0 110.314 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -74.04 0.94 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 104.814 -3.314 . . . . 0.0 104.814 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.5 p 41.0 63.81 1.12 Allowed 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -56.51 -47.98 78.17 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 174.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pp -140.8 169.1 15.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.6 m -141.03 53.12 1.58 Allowed 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 175.45 -54.08 0.01 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.102 0.877 . . . . 0.0 109.543 -173.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -86.66 69.02 10.31 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -52.2 -50.71 61.38 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.342 -174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.6 mt -132.06 73.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -159.87 -58.93 0.06 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.016 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.47 -49.56 64.44 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.225 173.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.9 -43.68 77.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.183 0.901 . . . . 0.0 110.193 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.59 -39.93 84.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 119.18 0.9 . . . . 0.0 108.706 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.67 -38.79 89.07 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.302 0.955 . . . . 0.0 109.186 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.68 -48.26 80.1 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.96 -43.77 66.63 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.256 0.935 . . . . 0.0 109.776 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.16 -45.21 93.83 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.236 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -57.54 -38.83 75.37 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.916 0.78 . . . . 0.0 110.615 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.44 -34.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -46.55 -43.41 17.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.017 1.281 . . . . 0.0 110.647 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.6 t90 -60.26 -48.87 79.9 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.933 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.29 -30.39 69.44 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.413 -1.28 . . . . 0.0 111.177 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 tp -46.36 -39.47 10.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.169 1.35 . . . . 0.0 110.936 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.09 -45.51 8.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.409 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.29 29.6 7.69 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 117.855 -1.069 . . . . 0.0 112.829 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -76.88 -62.86 1.5 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.56 -103.38 1.95 Allowed Glycine 0 C--N 1.356 1.641 0 N-CA-C 107.654 -2.179 . . . . 0.0 107.654 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -160.75 151.86 18.92 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.182 1.491 . . . . 0.0 109.492 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -165.07 167.2 18.53 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.552 1.069 . . . . 0.0 110.507 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 49.05 54.29 11.16 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 123.486 0.491 . . . . 0.0 111.162 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.4 t70 48.41 72.15 0.3 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.638 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.7 m95 67.92 163.47 0.21 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.867 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HZ3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -125.71 64.11 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.7 m170 62.57 56.79 1.96 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.98 63.31 4.47 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.8 tt -170.59 130.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 116.544 -1.693 . . . . 0.0 107.567 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.9 p 39.93 46.92 1.8 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.417 1.462 . . . . 0.0 109.632 -175.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 . . . . . 0 C--N 1.355 0.818 0 C-N-CA 120.139 -0.625 . . . . 0.0 109.849 -174.381 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.735 -1.126 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.92 173.87 0.13 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.882 0.765 . . . . 0.0 110.697 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.96 160.49 1.97 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 118.942 0.792 . . . . 0.0 110.65 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.84 -73.0 0.04 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -109.13 54.51 0.65 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 171.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -158.34 54.66 0.45 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -164.75 150.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 117.638 -1.172 . . . . 0.0 108.704 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.4 t -59.1 157.45 10.27 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.129 1.331 . . . . 0.0 109.469 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.1 68.56 6.27 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -166.74 159.98 14.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.504 -1.712 . . . . 0.0 109.512 -174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 t 94.65 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.481 1.037 . . . . 0.0 109.328 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.7 75.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.91 -58.06 0.03 OUTLIER 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -69.79 -46.2 66.25 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 171.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -43.48 44.94 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.058 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -58.53 -46.32 87.04 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.333 0.969 . . . . 0.0 108.966 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.42 -43.62 82.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 119.576 1.08 . . . . 0.0 108.665 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -61.77 -39.55 92.06 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.802 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -64.68 -49.14 72.12 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.96 -42.18 62.68 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.568 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -56.36 -46.9 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.378 0.99 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -65.38 -38.8 91.11 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.759 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.5 -46.48 95.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.06 -50.02 70.18 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 109.058 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -52.56 -51.47 59.57 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.197 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.95 -54.15 48.47 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.681 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.11 -44.99 88.01 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.37 0.986 . . . . 0.0 109.607 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.95 66.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -91.09 63.13 5.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -157.45 51.78 0.46 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.712 0.687 . . . . 0.0 109.717 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.08 35.35 0.69 Allowed Glycine 0 C--N 1.355 1.587 0 CA-C-O 118.128 -1.373 . . . . 0.0 114.112 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 41.83 52.54 4.13 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.806 1.303 . . . . 0.0 110.505 -177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.68 174.61 10.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 59.34 46.56 12.46 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -164.85 88.29 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.231 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -43.79 -44.91 7.03 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.438 -0.791 . . . . 0.0 111.764 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 55.36 69.66 0.71 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.593 0.633 . . . . 0.0 111.013 174.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -136.09 45.06 2.4 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.628 0.649 . . . . 0.0 110.173 173.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 t30 41.77 73.76 0.12 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.985 -0.531 . . . . 0.0 112.022 174.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.11 105.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -58.5 146.39 35.57 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 110.312 -174.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.831 0 CA-C-N 119.189 0.904 . . . . 0.0 111.394 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.92 169.95 16.65 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.284 177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.71 154.5 38.78 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.82 61.5 7.3 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.118 -1.593 . . . . 0.0 109.118 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 p -64.65 -64.02 0.98 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -165.62 -73.26 0.03 OUTLIER 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.0 mt -148.05 133.67 11.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -100.77 52.33 0.86 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.871 1.668 . . . . 0.0 109.398 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -157.9 52.2 0.45 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -70.04 142.55 52.71 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.326 -0.949 . . . . 0.0 108.865 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 t -174.36 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -77.67 -48.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.59 45.92 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.416 1.007 . . . . 0.0 109.946 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.475 ' SD ' ' CE1' ' A' ' 18' ' ' HIS . 13.1 tmm? -55.17 -49.53 71.64 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.415 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.19 -44.78 79.73 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -56.64 -42.17 78.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.016 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mm -61.95 -45.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' CE1' ' SD ' ' A' ' 14' ' ' MET . 33.2 m170 -60.21 -43.14 96.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.278 -0.969 . . . . 0.0 109.446 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.6 -42.51 96.91 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.062 0.847 . . . . 0.0 109.041 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -58.28 -39.66 79.87 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.381 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.43 -41.99 77.34 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.44 1.018 . . . . 0.0 110.202 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -61.61 -37.32 83.52 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.318 0.963 . . . . 0.0 109.757 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.53 -47.62 90.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 119.883 1.22 . . . . 0.0 107.957 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.1 -46.01 86.25 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.739 0.7 . . . . 0.0 110.246 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -50.79 -43.71 58.7 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.406 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -94.92 40.44 1.1 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.274 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.7 -49.04 15.27 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.45 68.35 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.244 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -107.01 48.98 0.82 Allowed 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -71.4 -51.76 22.25 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.52 66.06 0.38 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 108.838 -1.705 . . . . 0.0 108.838 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 57.05 78.18 0.23 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -144.34 177.48 8.6 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 119.114 -0.47 . . . . 0.0 112.234 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 56.56 70.65 0.63 Allowed 'General case' 0 C--N 1.358 0.939 0 O-C-N 123.858 0.724 . . . . 0.0 109.918 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 t70 46.54 50.57 12.69 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -43.1 -53.77 4.75 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.588 -1.196 . . . . 0.0 109.575 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 39.14 40.44 0.5 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 170.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 46.29 21.73 0.13 Allowed 'General case' 0 C--N 1.353 0.751 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -177.1 124.66 0.14 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.505 -1.712 . . . . 0.0 107.683 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 tp -163.65 147.53 3.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 121.282 1.856 . . . . 0.0 110.565 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -151.36 147.88 27.45 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.371 -1.3 . . . . 0.0 108.091 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 . . . . . 0 C--N 1.354 0.775 0 CA-C-N 120.049 1.295 . . . . 0.0 109.876 -177.167 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.28 155.73 20.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.579 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -141.86 162.73 34.75 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.022 -0.989 . . . . 0.0 108.804 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.34 115.19 0.38 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-O 117.829 -1.539 . . . . 0.0 111.161 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.61 170.35 22.58 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.556 1.678 . . . . 0.0 109.119 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.37 -56.57 15.26 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.107 0.867 . . . . 0.0 109.516 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.78 113.6 37.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 10' ' ' TYR . 19.5 m -148.78 41.11 0.92 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.026 1.284 . . . . 0.0 109.755 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 58.28 -75.44 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.433 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 8' ' ' SER . 96.1 m-85 -75.88 -2.28 29.43 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.303 -1.332 . . . . 0.0 112.931 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.3 m -52.33 -40.96 62.58 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 121.291 1.859 . . . . 0.0 108.47 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.2 mt -90.86 68.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.5 -59.63 0.02 OUTLIER 'General case' 0 C--N 1.353 0.741 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -43.47 71.82 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -47.45 77.02 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.16 -41.81 68.9 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.952 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.16 -50.92 78.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.45 -42.05 61.29 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.895 0.77 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 mp0 -59.91 -53.71 54.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.796 -1.097 . . . . 0.0 109.258 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.71 69.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.471 1.487 . . . . 0.0 110.872 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.42 -43.32 99.08 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.034 1.288 . . . . 0.0 108.657 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.55 -33.26 75.51 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.562 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.95 -46.1 97.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.589 1.541 . . . . 0.0 107.622 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -56.44 -45.99 80.54 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.147 0.885 . . . . 0.0 109.8 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.31 -50.82 64.16 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.736 0.698 . . . . 0.0 109.742 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.3 -2.87 40.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.049 -1.453 . . . . 0.0 112.892 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 tp -48.7 -41.8 32.88 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.071 1.759 . . . . 0.0 110.047 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.9 -41.45 5.2 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.994 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -137.93 108.38 6.53 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.01 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -127.47 53.74 1.72 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.87 57.41 18.2 Favored Glycine 0 C--N 1.353 1.501 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.069 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -81.99 76.2 8.9 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 65.31 142.54 0.03 OUTLIER 'General case' 0 C--N 1.356 0.863 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -164.69 56.84 0.14 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.958 0.799 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.9 t70 52.75 70.07 0.62 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.693 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -150.23 159.27 44.56 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.039 173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt 55.27 91.11 0.03 OUTLIER 'General case' 0 C--N 1.358 0.95 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -170.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.48 74.99 0.48 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.87 0.759 . . . . 0.0 110.696 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 65.22 76.94 0.32 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.85 153.19 11.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.601 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -55.45 -36.97 67.13 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.01 1.277 . . . . 0.0 111.111 -174.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 . . . . . 0 C--N 1.354 0.798 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 176.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.22 -0.464 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.54 58.83 0.49 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -158.43 152.24 23.6 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.529 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 70.44 1.31 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 m -56.82 -54.69 43.55 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -77.69 -41.1 39.24 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.751 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.0 145.66 3.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.364 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.2 m -95.69 68.13 2.85 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.824 1.193 . . . . 0.0 108.498 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -157.91 -63.47 0.09 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.609 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -119.91 26.91 9.0 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.154 0.888 . . . . 0.0 111.721 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -71.98 -37.65 69.83 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.575 1.08 . . . . 0.0 109.259 172.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.4 mt -80.59 72.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 105.199 -2.148 . . . . 0.0 105.199 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.57 -59.69 0.02 OUTLIER 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.7 mmt -67.74 -47.65 68.65 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 172.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.11 -44.13 82.94 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.719 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.85 -44.52 91.01 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.659 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.67 -42.57 94.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -56.7 -44.29 81.37 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.758 1.163 . . . . 0.0 109.247 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.53 -46.98 85.66 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.466 -0.894 . . . . 0.0 108.806 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.34 -45.29 76.42 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 118.993 0.815 . . . . 0.0 109.567 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.62 -42.95 93.83 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.629 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.12 -41.73 88.89 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.654 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.35 -31.84 54.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.652 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.1 -39.35 55.93 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.867 1.667 . . . . 0.0 110.699 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -54.44 -51.35 65.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.664 1.12 . . . . 0.0 109.109 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.35 -23.21 66.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.67 -1.634 . . . . 0.0 111.884 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 tp -46.19 -41.37 12.61 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.477 1.944 . . . . 0.0 110.316 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.69 -52.4 62.52 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.157 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.42 76.56 4.47 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.08 -61.73 0.1 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.704 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.7 -89.38 0.07 OUTLIER Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.102 -1.388 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.8 tttt 52.11 59.83 4.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.733 1.266 . . . . 0.0 108.078 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -121.6 -177.6 3.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 58.07 60.06 2.85 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -144.88 60.18 1.31 Allowed 'General case' 0 C--N 1.353 0.731 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -59.19 85.76 0.01 OUTLIER 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.502 0.501 . . . . 0.0 111.507 -174.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.83 50.17 2.26 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -125.26 -154.83 0.64 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -171.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -134.81 162.16 33.17 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.209 1.368 . . . . 0.0 108.974 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.75 64.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -163.49 169.48 18.74 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.982 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 . . . . . 0 C--N 1.353 0.722 0 CA-C-N 118.564 0.62 . . . . 0.0 110.629 -178.008 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 p90 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.89 165.35 29.17 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.152 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 66.56 148.37 0.05 OUTLIER 'General case' 0 C--N 1.356 0.851 0 O-C-N 123.945 0.778 . . . . 0.0 110.616 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.43 61.24 0.38 Allowed Glycine 0 C--N 1.355 1.615 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.8 m -111.56 73.88 0.84 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -154.98 -62.52 0.12 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.879 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -126.37 -98.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.923 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.12 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -174.55 61.7 0.02 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-N 121.347 1.885 . . . . 0.0 108.082 -176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -118.34 75.28 1.0 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 14' ' ' MET . 32.0 p90 -56.22 159.64 3.38 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.376 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -159.07 -61.25 0.07 Allowed 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.399 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.47 -41.53 84.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.52 -58.96 4.22 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.288 0.949 . . . . 0.0 112.022 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' CE1' ' A' ' 10' ' ' TYR . 89.9 mtp -79.25 -38.99 34.21 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.762 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -54.1 -40.06 66.93 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.904 1.229 . . . . 0.0 109.837 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.54 -43.97 93.33 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.346 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mm -62.96 -40.38 88.76 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 119.159 0.89 . . . . 0.0 108.902 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -58.26 -41.95 85.38 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -65.57 -42.68 91.51 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.195 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -51.83 -43.51 63.18 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.757 1.162 . . . . 0.0 109.903 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.51 -43.74 89.23 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.639 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.94 -39.67 94.67 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.178 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.5 -47.24 88.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -56.55 -49.99 73.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.792 0.724 . . . . 0.0 109.583 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -50.32 -53.41 28.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.119 0.418 . . . . 0.0 110.403 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.03 -56.78 17.04 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.776 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.7 -41.5 86.42 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.463 0.574 . . . . 0.0 110.395 -173.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.08 70.97 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.503 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -76.8 -22.68 53.32 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.721 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -53.05 -50.58 64.03 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 121.555 1.979 . . . . 0.0 106.689 173.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.77 163.23 11.07 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 118.651 -1.083 . . . . 0.0 112.084 170.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm 45.55 61.43 2.61 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -154.38 159.82 41.34 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.325 -1.322 . . . . 0.0 108.851 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 79.77 52.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.9 m-20 45.85 68.47 0.58 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.886 -1.054 . . . . 0.0 111.156 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -58.63 88.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.349 0.977 . . . . 0.0 109.399 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' ASP . 61.0 mttp -143.7 50.21 1.37 Allowed 'General case' 0 C--N 1.352 0.709 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 50.39 57.25 6.8 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -172.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -124.08 93.55 3.95 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.146 -169.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.9 tt 40.63 84.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 0 CA-C-N 118.496 0.589 . . . . 0.0 112.386 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 t -44.92 -37.39 3.91 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.367 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 . . . . . 0 C--N 1.356 0.856 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.143 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.9 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.27 165.92 30.5 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.314 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -164.1 164.71 22.77 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.867 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.17 55.75 28.95 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.366 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' ILE . 87.7 m -57.98 -56.92 15.78 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.895 -1.05 . . . . 0.0 108.174 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.2 t80 42.59 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.435 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 5' ' ' THR . 70.1 mt -135.3 147.83 28.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 177.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -145.98 55.6 1.18 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.536 1.516 . . . . 0.0 110.686 -173.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 39.98 52.32 2.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.654 0.596 . . . . 0.0 111.953 176.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -61.92 -30.91 71.21 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.561 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.4 m -53.04 -43.08 66.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 109.126 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.8 mt -80.33 79.76 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.45 -60.88 0.06 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.835 -0.603 . . . . 0.0 109.558 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -70.44 -47.75 59.18 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.69 -48.78 69.19 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.066 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -54.19 -47.07 72.47 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.819 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -58.77 -40.09 78.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.427 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -60.82 -46.99 88.38 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.313 0.96 . . . . 0.0 109.868 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -61.77 -51.59 67.7 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -45.08 41.11 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.043 0.838 . . . . 0.0 110.604 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -57.6 -45.68 85.0 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.352 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -62.14 -38.21 88.1 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.74 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.16 -49.22 82.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -53.11 -49.5 66.37 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.678 1.126 . . . . 0.0 110.117 -178.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.24 -52.04 60.26 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.88 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.11 -48.12 81.17 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.254 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -55.33 -44.12 75.6 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.477 1.035 . . . . 0.0 109.344 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.66 -47.51 79.61 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 119.414 -0.915 . . . . 0.0 108.758 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -96.85 73.7 2.63 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -143.79 -61.05 0.4 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.582 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.68 -110.17 3.91 Favored Glycine 0 C--N 1.355 1.623 0 N-CA-C 106.551 -2.619 . . . . 0.0 106.551 -171.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -157.94 71.82 0.62 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.329 2.065 . . . . 0.0 109.96 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -176.62 3.07 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 t30 57.6 46.62 17.33 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.17 0.895 . . . . 0.0 108.716 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -162.33 63.15 0.22 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -50.85 153.91 1.61 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.313 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.94 52.75 0.69 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.37 163.66 27.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -122.48 123.13 40.56 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.905 -1.521 . . . . 0.0 108.235 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.8 tp 35.15 66.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 119.712 1.142 . . . . 0.0 111.751 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.5 m -66.9 81.64 0.11 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 119.012 -0.518 . . . . 0.0 109.71 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 C--N 1.355 0.835 0 CA-C-N 118.7 0.682 . . . . 0.0 109.997 -179.416 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.5 p90 . . . . . 0 CA--C 1.514 -0.441 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.74 158.72 23.29 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.811 1.187 . . . . 0.0 110.887 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -165.19 149.76 8.95 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.502 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.19 -65.78 0.1 Allowed Glycine 0 C--N 1.354 1.568 0 C-N-CA 119.257 -1.449 . . . . 0.0 112.255 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -164.01 172.77 13.42 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 117.935 0.868 . . . . 0.0 111.415 -174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -65.89 -43.73 87.41 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.8 tt -151.93 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.251 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -172.08 3.73 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.195 0.907 . . . . 0.0 109.108 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.68 -37.62 51.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.27 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -52.95 158.09 1.52 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.428 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.2 t -158.1 -62.17 0.08 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.574 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.4 mt -88.94 68.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.876 -2.639 . . . . 0.0 103.876 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 178.33 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -175.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.1 ttm -68.31 -43.06 78.48 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.63 -46.86 67.25 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.896 0.771 . . . . 0.0 109.625 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.31 -42.34 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.073 0.851 . . . . 0.0 109.798 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CE1' ' CE1' ' A' ' 22' ' ' PHE . 56.7 t-80 -55.75 -41.29 73.73 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.096 1.316 . . . . 0.0 110.158 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.77 -50.58 73.4 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -55.18 -44.96 75.73 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 118.705 0.684 . . . . 0.0 110.399 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.53 -44.48 76.74 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 119.06 0.845 . . . . 0.0 109.681 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 18' ' ' HIS . 3.5 m-85 -65.99 -37.68 86.57 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.467 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.82 -50.4 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 119.93 1.241 . . . . 0.0 107.662 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -54.54 -48.03 72.48 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.65 0.659 . . . . 0.0 109.886 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.65 -53.65 44.19 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.277 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.31 -47.43 85.44 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.258 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.94 -40.36 84.41 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.551 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.14 71.27 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.015 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -91.36 70.44 6.03 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -160.2 -64.73 0.07 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.95 46.65 0.49 Allowed Glycine 0 C--N 1.353 1.5 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -161.37 85.74 0.66 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -155.23 50.31 0.57 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.855 0.752 . . . . 0.0 110.636 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -88.73 71.48 8.73 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -156.95 95.04 1.48 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.498 -174.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.9 m95 52.97 69.37 0.7 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.036 0.835 . . . . 0.0 110.418 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -84.61 61.11 6.5 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 173.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -57.52 -38.34 74.49 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.58 88.53 0.14 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 168.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 pt -79.92 63.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.8 m -156.4 -60.25 0.1 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.114 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 C--N 1.357 0.903 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.109 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.97 164.99 38.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.732 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -161.46 58.02 0.28 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.38 0.536 . . . . 0.0 109.577 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.13 -70.85 0.86 Allowed Glycine 0 C--N 1.354 1.537 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.558 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.099 0.949 . . . . 0.0 110.451 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -55.37 -52.41 63.64 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.304 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 16.9 mm -89.77 -114.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 115.012 -2.423 . . . . 0.0 105.793 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -160.37 39.6 0.17 Allowed 'General case' 0 C--N 1.358 0.968 0 CA-C-N 124.137 3.153 . . . . 0.0 113.811 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 45.22 64.17 1.5 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.544 1.066 . . . . 0.0 111.273 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.51 130.95 37.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.169 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -168.42 -60.68 0.02 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.356 0.98 . . . . 0.0 110.039 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 12' ' ' ILE . 1.4 mp -86.07 84.0 2.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 101.724 -3.435 . . . . 0.0 101.724 173.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.3 -65.08 0.15 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.299 -176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.62 -45.05 92.03 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.8 -49.08 69.09 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.335 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.22 -44.75 71.94 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.182 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.08 -41.03 91.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 119.775 -0.77 . . . . 0.0 108.956 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.78 -40.18 91.63 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 119.394 0.997 . . . . 0.0 109.554 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.3 -44.56 94.64 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -45.05 74.55 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.195 0.907 . . . . 0.0 108.825 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.21 -44.4 88.12 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.626 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -61.11 -38.32 85.92 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.277 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.49 -48.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -52.83 -49.44 65.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.528 1.058 . . . . 0.0 109.899 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -58.01 -49.72 75.88 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.906 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.32 -48.03 81.63 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.478 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.14 -44.53 83.49 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.84 87.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.626 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -122.32 65.42 0.94 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 118.693 0.679 . . . . 0.0 110.12 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -82.54 -40.31 21.14 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 168.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.97 56.17 2.25 Favored Glycine 0 C--N 1.356 1.656 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm 47.35 59.42 4.1 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 117.736 0.768 . . . . 0.0 109.298 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.26 156.18 32.06 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.01 -1.471 . . . . 0.0 108.898 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -122.21 57.25 1.08 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.081 1.31 . . . . 0.0 108.405 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t70 41.1 61.27 1.79 Allowed 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.573 0.546 . . . . 0.0 111.55 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -47.29 141.46 4.64 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.786 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.55 54.56 0.26 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.339 0.972 . . . . 0.0 110.376 -170.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 68.9 t60 69.96 136.35 0.04 OUTLIER 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.089 -173.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -158.36 53.49 0.44 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.739 1.154 . . . . 0.0 110.904 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 tp -153.6 53.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.0 m -74.67 -56.95 4.26 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.488 0.661 . . . . 0.0 110.433 178.266 . . . . . . . . 0 0 . 1 stop_ save_