data_1t5q_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 1t5q _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 ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.291 0.95 . . . . 0.0 108.852 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -58.9 -35.52 73.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.347 0.976 . . . . 0.0 109.947 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 90.6 t80 -62.51 -45.61 92.2 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.05 0.841 . . . . 0.0 109.816 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -63.56 -44.78 93.14 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.773 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.77 -41.74 93.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.16 82.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.091 0.86 . . . . 0.0 109.081 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.423 ' SD ' ' CE2' ' A' ' 10' ' ' TYR . 86.8 mtp -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.09 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.625 1.102 . . . . 0.0 108.616 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.53 -43.26 84.2 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.824 0.738 . . . . 0.0 110.761 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.96 -53.8 33.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -62.53 -30.85 71.6 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.219 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -51.68 -33.92 36.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.544 -1.217 . . . . 0.0 109.803 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -50.6 10.34 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.055 1.298 . . . . 0.0 109.198 174.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -46.08 85.85 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.622 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -62.82 -41.6 99.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.377 0.99 . . . . 0.0 111.877 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.27 -46.79 76.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.5 -38.39 71.71 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.633 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -63.83 -50.68 67.93 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.717 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.27 -44.55 96.26 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 120.006 1.275 . . . . 0.0 108.132 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.56 -45.41 89.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.682 1.128 . . . . 0.0 108.823 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.88 81.22 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -108.4 45.69 1.01 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--N 1.356 0.86 0 CA-C-O 122.857 1.313 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -54.02 -51.19 64.77 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.259 0.936 . . . . 0.0 109.907 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.74 -36.55 81.32 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.54 1.064 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.29 -45.9 91.21 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.276 0.944 . . . . 0.0 109.227 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 t -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.1 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.2 -48.77 77.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.3 77.94 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.765 0.712 . . . . 0.0 109.488 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 14' ' ' MET . 1.2 tmt? -56.72 -50.01 73.47 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.03 -38.42 76.21 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.51 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.31 -45.85 75.27 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.375 0.989 . . . . 0.0 108.736 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.0 mm -57.56 -48.77 82.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -65.49 -32.1 73.53 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.061 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -55.06 -37.53 66.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.953 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.75 -52.77 8.06 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.119 0.872 . . . . 0.0 109.242 175.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.5 -43.47 98.73 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.471 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.27 -42.61 91.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.123 0.874 . . . . 0.0 111.21 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.5 -46.73 75.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -53.52 -38.84 64.13 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.471 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -63.21 -49.46 74.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.826 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.7 -43.23 94.15 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.621 1.555 . . . . 0.0 108.552 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.06 -45.82 86.44 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.818 1.19 . . . . 0.0 108.348 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.73 87.67 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.194 -0.907 . . . . 0.0 109.896 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -109.38 46.1 1.02 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.448 0.567 . . . . 0.0 111.087 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttp . . . . . 0 C--N 1.356 0.878 0 CA-C-O 121.854 0.835 . . . . 0.0 109.724 175.226 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 CA--C 1.512 -0.508 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -61.57 -51.63 67.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.919 1.236 . . . . 0.0 109.628 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.82 -37.9 77.44 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.448 1.022 . . . . 0.0 109.78 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -66.13 -45.96 79.24 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.576 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -62.35 -40.49 96.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 118.486 0.584 . . . . 0.0 110.64 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.69 -46.71 93.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.61 86.65 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.697 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.44 -44.74 95.51 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.291 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.41 -54.55 42.1 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.543 -0.863 . . . . 0.0 108.702 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.71 -40.44 66.06 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.422 0.555 . . . . 0.0 110.848 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.33 -50.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.06 -27.87 69.2 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.652 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -54.39 -31.08 54.12 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 117.579 -1.2 . . . . 0.0 109.908 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -52.82 8.79 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.078 1.308 . . . . 0.0 108.992 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.06 -42.9 75.65 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.957 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -63.2 -42.32 99.29 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.279 0.945 . . . . 0.0 110.96 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.68 -45.18 75.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -54.15 -39.09 66.2 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.27 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.66 -47.75 82.31 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.306 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.86 -36.85 84.58 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.963 1.711 . . . . 0.0 109.391 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.8 -32.61 74.24 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.27 0.941 . . . . 0.0 109.58 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.1 42.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.634 1.106 . . . . 0.0 108.42 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -96.31 68.53 2.61 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.506 -0.739 0 CA-C-O 122.543 1.163 . . . . 0.0 109.103 -176.309 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tp . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -66.18 -56.39 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.293 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.681 1.128 . . . . 0.0 110.28 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.7 -46.75 86.68 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.804 0.729 . . . . 0.0 109.365 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 t -66.53 -39.47 88.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.628 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.2 -49.36 73.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.96 84.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.154 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.0 ttp -55.77 -45.94 78.0 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.81 -50.0 75.51 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.754 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -55.31 -42.72 74.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.123 0.874 . . . . 0.0 110.44 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.73 -48.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -62.4 -31.32 71.98 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.87 -31.1 64.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.031 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -53.7 11.6 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 108.715 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.41 -42.56 83.05 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.875 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.23 -42.78 99.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.324 0.966 . . . . 0.0 110.484 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.67 -45.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -54.37 -39.37 67.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.235 -0.986 . . . . 0.0 109.376 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -63.25 -49.29 74.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.596 1.544 . . . . 0.0 109.426 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.49 -46.79 81.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.584 1.084 . . . . 0.0 108.549 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.38 76.25 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -93.93 70.6 4.0 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--N 1.353 0.759 0 CA-C-O 121.974 0.893 . . . . 0.0 109.504 -174.503 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -59.03 -57.79 11.54 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.899 1.227 . . . . 0.0 110.793 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.05 -38.57 91.55 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.0 110.84 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.46 -44.95 92.98 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 118.977 0.808 . . . . 0.0 110.242 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -64.54 -41.97 96.02 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.52 -43.97 98.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.28 91.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.115 0.87 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.5 tmm? -57.95 -50.45 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.64 -46.55 80.95 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.598 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.72 -45.31 85.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.8 0.727 . . . . 0.0 109.64 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -59.46 -48.94 85.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.85 -32.78 74.08 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.276 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -50.05 -31.02 12.02 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.877 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.65 -54.85 3.13 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.688 1.131 . . . . 0.0 110.365 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 p-10 -67.91 -36.69 80.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.316 0.962 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 55.7 t80 -69.55 -42.05 75.09 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.394 0.997 . . . . 0.0 110.879 -175.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.76 -46.38 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -55.8 -37.92 69.27 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.567 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.76 -49.89 68.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.026 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.81 -38.48 91.24 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.302 1.41 . . . . 0.0 109.31 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.28 -46.68 85.67 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.413 1.006 . . . . 0.0 108.368 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.98 76.95 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.526 -0.75 . . . . 0.0 109.27 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -102.3 53.69 0.8 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptt . . . . . 0 C--N 1.356 0.853 0 CA-C-O 122.461 1.124 . . . . 0.0 111.718 174.376 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 t -52.31 -49.43 64.23 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.543 1.065 . . . . 0.0 109.881 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -60.15 -40.07 88.58 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.509 1.05 . . . . 0.0 110.131 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.4 -49.11 76.81 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.188 0.904 . . . . 0.0 109.783 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -57.31 -42.6 82.13 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.107 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.09 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.54 82.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.325 0.966 . . . . 0.0 109.686 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.2 mtp -58.32 -48.16 81.43 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 119.614 -0.835 . . . . 0.0 108.833 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.83 -47.41 80.38 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.596 -0.841 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.21 -42.39 86.1 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.396 0.544 . . . . 0.0 109.745 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.19 -48.77 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.59 -33.07 71.0 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.012 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -54.38 -30.93 53.53 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.301 -1.333 . . . . 0.0 110.291 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -54.03 12.33 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.709 1.595 . . . . 0.0 108.948 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.48 -46.21 70.3 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.137 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.08 -39.59 92.95 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.737 1.153 . . . . 0.0 110.857 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.7 -46.4 89.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -56.02 -39.23 71.62 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 119.25 -0.98 . . . . 0.0 109.577 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.54 -53.29 54.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.19 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.58 -37.8 85.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.947 1.249 . . . . 0.0 110.275 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.36 -47.79 77.97 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.5 81.59 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.532 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -107.33 56.56 0.64 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.505 0.593 . . . . 0.0 110.701 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.721 0.772 . . . . 0.0 109.568 171.497 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -54.36 -52.92 60.1 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.352 0.978 . . . . 0.0 110.013 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.63 -39.4 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.938 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -59.72 -49.41 77.86 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.398 0.999 . . . . 0.0 109.522 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -61.07 -42.75 99.08 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 118.768 0.713 . . . . 0.0 110.504 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.44 -49.53 80.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.61 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.396 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -61.67 -47.26 86.15 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.81 -40.92 90.02 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.087 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.599 1.09 . . . . 0.0 110.194 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.8 -52.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -63.48 -45.62 89.92 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.237 -171.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -45.34 -27.26 0.64 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.408 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.8 -52.45 3.98 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.134 1.333 . . . . 0.0 109.44 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.08 -36.97 86.0 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.557 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -67.89 -43.2 79.87 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.921 0.782 . . . . 0.0 110.982 -176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.31 -46.15 66.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -54.16 -38.73 65.85 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.181 0.901 . . . . 0.0 109.406 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -64.12 -44.72 91.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.223 -1.37 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.69 -35.86 77.74 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.067 1.758 . . . . 0.0 109.41 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.46 -27.7 68.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.74 -47.5 38.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.694 1.134 . . . . 0.0 108.555 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -103.29 74.43 1.28 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp . . . . . 0 C--N 1.353 0.738 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt . . . . . 0 CA--C 1.513 -0.463 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -57.34 -48.71 78.3 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.866 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -60.07 -36.42 77.32 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.686 1.13 . . . . 0.0 110.156 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.08 -52.17 64.97 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.56 1.073 . . . . 0.0 109.062 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.4 t -59.38 -39.36 83.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.727 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.17 -48.32 78.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.44 88.04 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 109.949 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.0 ttp -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.71 -35.57 78.41 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.11 -47.24 71.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.49 -50.94 75.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -65.34 -30.64 71.5 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.138 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -48.28 -33.77 9.3 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.411 1.005 . . . . 0.0 110.062 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -43.29 -55.02 4.25 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.236 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -63.74 -37.28 86.77 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.944 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.5 -42.04 96.07 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 118.764 0.711 . . . . 0.0 110.541 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.42 -51.32 34.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -51.28 -39.63 57.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.804 -0.759 . . . . 0.0 109.56 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -66.37 -52.41 47.21 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.01 -34.32 77.32 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.876 1.671 . . . . 0.0 109.945 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.11 -47.08 81.39 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.22 91.66 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.613 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -92.8 74.64 4.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--N 1.355 0.844 0 CA-C-O 122.638 1.209 . . . . 0.0 108.347 -178.46 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.8 m -55.28 -49.44 72.09 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.451 -0.899 . . . . 0.0 109.361 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -41.97 87.18 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.169 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -62.7 -46.6 87.38 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.602 0.637 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -64.0 -42.76 97.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.413 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.6 mm -63.37 -46.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.77 93.22 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.316 0.962 . . . . 0.0 109.979 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 tpt -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.96 -44.55 97.16 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.573 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -59.9 -41.6 92.0 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 118.876 0.762 . . . . 0.0 109.54 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.94 -49.78 82.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -62.77 -32.89 74.13 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.414 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -51.61 -28.01 12.93 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.296 -1.335 . . . . 0.0 110.251 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.61 -54.71 7.28 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.224 1.375 . . . . 0.0 109.577 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.76 -33.22 73.53 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.911 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -69.74 -45.64 67.69 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.23 0.923 . . . . 0.0 109.441 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.43 -48.5 80.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -54.32 -40.07 67.64 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.531 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -63.07 -49.33 74.92 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.887 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.21 -41.31 97.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.496 1.498 . . . . 0.0 108.448 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.5 -46.36 89.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.857 1.208 . . . . 0.0 108.588 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.42 80.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.312 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -104.56 62.02 0.72 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 C--N 1.357 0.897 0 CA-C-O 122.287 1.042 . . . . 0.0 110.761 179.61 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 -51.26 63.97 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 121.375 -0.828 . . . . 0.0 108.787 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -57.16 -35.16 69.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.599 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.85 -49.71 60.64 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.401 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 m -61.5 -41.96 98.07 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.111 0.869 . . . . 0.0 109.435 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.04 -47.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.7 92.84 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.103 0.865 . . . . 0.0 110.627 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 ttp -60.61 -50.23 74.34 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.46 -37.48 72.93 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -64.78 -40.96 96.12 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.949 0.795 . . . . 0.0 109.278 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -66.6 -52.92 40.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.79 -29.18 69.29 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.756 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -46.61 -37.31 7.98 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.01 0.823 . . . . 0.0 109.646 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.906 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.84 -36.58 84.37 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.636 1.107 . . . . 0.0 110.379 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.25 -43.79 81.02 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.769 0.713 . . . . 0.0 110.218 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.8 -47.67 68.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -54.17 -40.85 67.88 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.373 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -63.77 -50.44 69.02 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.919 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.28 -37.03 86.06 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.279 1.399 . . . . 0.0 109.372 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.74 -46.91 85.87 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.954 1.252 . . . . 0.0 108.27 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.76 83.16 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.194 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.65 67.52 1.28 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 tttp . . . . . 0 C--N 1.353 0.731 0 CA-C-O 122.613 1.196 . . . . 0.0 109.291 -176.317 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 CA--C 1.514 -0.434 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 m -64.03 -49.59 71.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.3 0.955 . . . . 0.0 108.84 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.72 -40.04 78.67 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.196 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -64.66 -46.76 81.1 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.088 0.858 . . . . 0.0 110.141 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -64.73 -42.23 95.37 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 118.687 0.676 . . . . 0.0 109.946 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.49 -46.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.94 96.96 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.816 0.734 . . . . 0.0 110.09 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.02 -45.61 92.24 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.79 -46.93 88.57 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.005 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -54.67 -42.59 71.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.619 0.645 . . . . 0.0 109.943 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.85 -50.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -60.28 -33.09 71.85 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.785 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -46.22 -34.76 4.61 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.219 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.83 -51.84 5.28 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.61 1.095 . . . . 0.0 110.227 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.56 -39.91 92.24 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.475 1.034 . . . . 0.0 110.468 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.93 -44.26 85.64 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 111.071 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.21 -48.08 70.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -56.61 -40.79 75.93 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.594 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -63.99 -49.97 70.38 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.838 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.12 -43.78 97.44 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.993 1.27 . . . . 0.0 108.225 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.04 -45.54 86.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.844 1.202 . . . . 0.0 108.379 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.42 88.88 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.0 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -112.19 46.78 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.586 0.63 . . . . 0.0 110.968 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--N 1.355 0.825 0 CA-C-O 122.814 1.293 . . . . 0.0 109.75 175.437 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.52 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -55.22 -53.13 59.94 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.26 1.391 . . . . 0.0 109.273 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.45 -37.57 73.04 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.97 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.21 -46.67 87.86 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.394 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -63.58 -41.99 98.32 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.978 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.61 -46.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.81 85.35 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.518 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -45.75 92.18 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.53 -39.14 89.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.352 -0.833 . . . . 0.0 110.229 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.1 -44.66 79.4 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.21 -50.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -66.87 -28.95 68.75 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.623 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -51.0 -38.32 50.53 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.91 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.15 -51.98 5.72 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.629 0.649 . . . . 0.0 109.929 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.43 -45.18 92.1 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.249 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.16 -44.43 87.94 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.317 0.962 . . . . 0.0 111.419 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.19 -52.05 37.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -51.4 -39.85 58.07 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -64.9 -49.68 69.5 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.739 -1.124 . . . . 0.0 111.067 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.12 -38.88 92.1 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.374 1.443 . . . . 0.0 108.934 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.71 -46.63 87.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.866 1.212 . . . . 0.0 108.003 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.19 73.91 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.742 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -110.65 45.48 1.14 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.05 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.355 0.816 0 CA-C-O 122.397 1.094 . . . . 0.0 112.42 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -62.9 -50.97 68.76 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.012 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -60.58 -34.77 74.69 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.708 1.14 . . . . 0.0 110.03 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -64.51 -45.22 88.16 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.294 0.952 . . . . 0.0 109.214 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -63.44 -40.06 96.15 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 118.701 0.682 . . . . 0.0 110.915 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.52 -49.28 72.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.71 78.62 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.492 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ttt -57.16 -48.14 79.46 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.12 -52.2 66.74 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.249 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.6 -39.51 77.0 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 118.429 0.559 . . . . 0.0 110.883 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.01 -48.32 86.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -61.6 -30.61 70.8 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.859 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -53.75 -29.95 42.13 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.133 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -54.16 12.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.519 1.509 . . . . 0.0 108.919 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -66.32 -41.9 89.0 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.59 -45.22 91.4 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.493 1.042 . . . . 0.0 111.105 -173.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.26 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -53.84 -37.81 63.99 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.464 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -65.22 -52.1 56.78 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.801 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.0 -36.51 79.68 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 121.018 1.736 . . . . 0.0 109.402 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -47.27 82.16 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.35 -40.79 75.06 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -96.89 62.1 1.86 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.244 1.021 . . . . 0.0 109.086 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -63.53 -53.62 48.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.53 1.059 . . . . 0.0 109.423 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.94 -37.73 77.39 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.688 1.131 . . . . 0.0 109.733 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.28 -46.5 89.62 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.186 0.903 . . . . 0.0 108.975 175.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -58.99 -41.14 86.92 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 119.093 0.86 . . . . 0.0 109.935 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.64 -46.79 85.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.569 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.5 86.11 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.677 1.126 . . . . 0.0 109.74 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -48.78 69.56 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.87 -40.18 94.51 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.16 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -60.72 -40.98 94.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.856 0.753 . . . . 0.0 109.448 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.38 -54.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -64.47 -25.17 67.88 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.764 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -53.84 -38.08 64.29 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.519 1.054 . . . . 0.0 109.245 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -51.36 7.22 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.822 0.737 . . . . 0.0 109.622 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.223 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.77 -43.31 94.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.39 0.996 . . . . 0.0 111.476 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.62 -49.87 60.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -53.29 -38.85 63.49 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.607 176.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -64.84 -52.68 55.4 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.651 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.54 -40.25 90.87 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.403 1.456 . . . . 0.0 108.685 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.53 -46.17 91.06 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.29 0.95 . . . . 0.0 108.449 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -38.84 74.44 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -102.43 46.45 0.92 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.776 -0.631 . . . . 0.0 110.293 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.353 0.752 0 CA-C-O 121.863 0.839 . . . . 0.0 109.976 178.043 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tp . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.3 m -61.76 -50.66 71.48 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.536 1.062 . . . . 0.0 109.917 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.44 -38.8 81.65 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.635 1.107 . . . . 0.0 109.751 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.66 -44.33 90.74 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.795 0.725 . . . . 0.0 110.407 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -66.27 -42.25 88.73 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.689 0.677 . . . . 0.0 110.002 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.11 -47.47 92.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.1 89.35 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.685 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ttp -57.59 -48.51 79.18 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.18 -50.89 71.44 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.316 -0.85 . . . . 0.0 108.754 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.57 -45.62 57.28 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.842 0.747 . . . . 0.0 110.441 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.21 -49.41 81.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.85 -30.26 70.73 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.188 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.49 -31.21 63.84 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.861 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.37 -51.43 8.56 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.272 1.396 . . . . 0.0 109.033 174.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.5 -44.09 79.3 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.71 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -62.99 -42.05 99.73 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.341 0.973 . . . . 0.0 111.681 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.7 t -70.84 -48.58 56.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -53.1 -37.89 62.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.318 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -65.57 -51.72 57.64 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.832 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.81 -36.44 81.13 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.916 1.689 . . . . 0.0 109.577 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.21 -47.61 79.06 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.92 74.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.704 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -100.8 57.67 0.9 Allowed 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.353 0.737 0 CA-C-O 122.186 0.993 . . . . 0.0 111.185 176.071 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 CA--C 1.513 -0.458 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -65.46 -50.31 65.85 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.559 1.072 . . . . 0.0 108.747 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.61 -39.96 74.51 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.993 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -61.86 -47.99 82.53 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 118.999 0.818 . . . . 0.0 109.77 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -63.29 -44.64 94.47 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.512 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.53 -45.69 91.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -43.23 91.29 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.29 0.95 . . . . 0.0 110.089 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.5 79.32 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.62 -48.01 82.44 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.305 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.7 mt -56.56 -49.36 77.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -64.48 -25.0 67.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.158 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -52.3 -36.17 52.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 120.586 1.539 . . . . 0.0 109.256 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.87 -51.21 2.45 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.284 0.947 . . . . 0.0 110.169 175.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.82 -47.16 72.88 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.767 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.58 -44.39 93.33 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.503 1.047 . . . . 0.0 111.699 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.22 -45.99 81.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -56.01 -39.4 71.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.546 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -63.65 -47.14 82.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.729 -1.129 . . . . 0.0 111.427 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.01 -35.96 81.07 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.668 1.576 . . . . 0.0 109.519 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.46 -30.9 71.35 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.352 0.978 . . . . 0.0 109.767 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.32 67.04 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.472 1.033 . . . . 0.0 108.7 173.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.58 77.16 1.17 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.052 1.406 . . . . 0.0 107.56 177.225 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -62.45 -50.02 73.12 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.26 -43.55 92.47 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.216 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.43 -50.55 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.69 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.6 t -57.1 -43.31 82.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.109 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.01 -44.5 92.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.82 92.84 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.235 0.925 . . . . 0.0 110.103 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttp -60.26 -48.05 83.38 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.6 -37.59 76.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.115 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -51.19 63.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.04 -51.01 66.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -61.83 -33.01 73.38 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.417 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -48.53 -34.52 11.47 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.122 0.873 . . . . 0.0 110.041 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -41.02 -53.65 2.95 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.656 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.87 -37.09 85.48 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.352 0.978 . . . . 0.0 110.2 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -64.9 -44.61 89.05 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.91 0.777 . . . . 0.0 110.418 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.56 -50.09 53.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -52.35 -39.24 60.47 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.509 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -65.24 -48.15 74.3 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.431 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.82 -35.48 80.14 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.776 1.625 . . . . 0.0 110.035 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.93 -37.58 84.59 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.16 0.891 . . . . 0.0 108.871 177.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.67 92.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.028 0.831 . . . . 0.0 109.191 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.32 71.61 0.75 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--N 1.353 0.733 0 CA-C-O 122.415 1.102 . . . . 0.0 108.484 175.829 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.7 m -67.29 -50.66 59.39 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.3 -40.46 71.12 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -64.71 -45.14 87.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.156 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -66.61 -38.62 87.36 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.1 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.18 -46.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.657 0.662 . . . . 0.0 109.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -46.1 88.49 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.97 -39.62 90.3 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.866 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.4 -40.46 97.27 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.145 0.884 . . . . 0.0 109.866 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.67 -51.71 66.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -64.31 -26.37 68.46 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.388 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -53.49 -40.12 65.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.532 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -51.14 5.48 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.481 0.582 . . . . 0.0 109.697 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.37 -43.79 93.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.427 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.87 -45.48 93.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 111.782 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.39 -47.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.6 -38.18 63.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.613 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -65.44 -49.4 69.28 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.045 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.27 -38.6 91.62 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.44 1.473 . . . . 0.0 109.163 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.31 -47.03 80.98 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.78 -41.88 74.72 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.328 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -103.27 55.07 0.75 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 tptt . . . . . 0 C--N 1.355 0.822 0 CA-C-O 122.45 1.119 . . . . 0.0 111.533 174.2 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -54.75 -50.5 68.25 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 109.987 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.94 -35.96 79.96 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.448 1.022 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.38 -48.71 74.41 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.511 1.05 . . . . 0.0 109.902 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m -64.01 -42.95 96.97 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.509 0.595 . . . . 0.0 110.329 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.16 -47.81 90.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.49 94.38 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.725 0.693 . . . . 0.0 110.331 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 ttp -59.66 -47.83 84.08 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -59.74 -47.36 85.98 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.912 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -54.2 -42.29 69.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.534 0.606 . . . . 0.0 109.849 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.45 -50.27 76.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -59.89 -29.69 68.5 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.264 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.96 -32.84 61.8 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-O 117.382 -1.295 . . . . 0.0 109.991 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.21 -52.06 5.79 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.948 1.249 . . . . 0.0 109.338 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.31 -44.9 78.05 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.517 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.5 -42.15 95.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.369 0.986 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.55 -49.69 34.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -51.25 -39.24 56.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.479 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -66.6 -47.26 73.24 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.747 -1.121 . . . . 0.0 111.405 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.27 -41.02 97.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.632 1.56 . . . . 0.0 108.298 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.75 -44.79 96.22 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.87 77.78 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.277 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -101.95 50.56 0.84 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.347 0.521 . . . . 0.0 110.561 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.356 0.852 0 CA-C-O 122.797 1.284 . . . . 0.0 109.736 174.734 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -64.48 -51.22 64.09 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.688 1.131 . . . . 0.0 108.535 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -56.59 -39.79 74.15 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.914 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.39 -45.77 91.63 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.511 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t -64.37 -42.2 96.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.272 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.21 -46.71 95.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.78 85.5 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.607 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -49.52 77.12 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.75 -40.36 75.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.463 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -63.87 -42.07 97.61 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.384 0.993 . . . . 0.0 109.225 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.95 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.57 -34.09 74.98 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.015 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -54.73 -34.78 62.93 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.213 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.33 -50.06 12.38 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.023 0.829 . . . . 0.0 109.213 174.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.53 -45.41 93.09 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.051 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.17 -43.29 92.12 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.901 0.773 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.45 -46.11 72.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -54.26 -37.06 64.28 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.705 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -65.59 -49.5 68.59 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.825 -1.083 . . . . 0.0 111.122 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.53 -37.26 86.93 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.37 1.441 . . . . 0.0 109.519 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.79 -46.64 81.23 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.22 73.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.011 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -100.96 56.52 0.86 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 C--N 1.354 0.797 0 CA-C-O 122.38 1.086 . . . . 0.0 112.26 174.769 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.4 t80 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.0 170.4 16.66 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 120.044 1.293 . . . . 0.0 112.33 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.27 70.75 8.24 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 -75.35 0.61 Allowed Glycine 0 C--N 1.355 1.622 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -102.78 24.59 10.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 117.823 0.811 . . . . 0.0 110.011 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.92 -41.66 70.9 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.29 0.95 . . . . 0.0 108.492 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp -47.35 -33.27 2.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.433 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.291 0.95 . . . . 0.0 108.852 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -58.9 -35.52 73.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.347 0.976 . . . . 0.0 109.947 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 90.6 t80 -62.51 -45.61 92.2 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.05 0.841 . . . . 0.0 109.816 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -63.56 -44.78 93.14 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.773 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.77 -41.74 93.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.16 82.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.091 0.86 . . . . 0.0 109.081 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.423 ' SD ' ' CE2' ' A' ' 10' ' ' TYR . 86.8 mtp -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.09 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.625 1.102 . . . . 0.0 108.616 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.53 -43.26 84.2 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.824 0.738 . . . . 0.0 110.761 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.96 -53.8 33.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -62.53 -30.85 71.6 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.219 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -51.68 -33.92 36.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.544 -1.217 . . . . 0.0 109.803 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -50.6 10.34 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.055 1.298 . . . . 0.0 109.198 174.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -46.08 85.85 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.622 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -62.82 -41.6 99.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.377 0.99 . . . . 0.0 111.877 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.27 -46.79 76.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.5 -38.39 71.71 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.633 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -63.83 -50.68 67.93 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.717 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.27 -44.55 96.26 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 120.006 1.275 . . . . 0.0 108.132 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.56 -45.41 89.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.682 1.128 . . . . 0.0 108.823 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.88 81.22 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -108.4 45.69 1.01 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--N 1.356 0.86 0 CA-C-O 122.857 1.313 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.95 78.74 5.38 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.984 1.265 . . . . 0.0 109.652 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -88.22 63.84 7.38 Favored 'General case' 0 C--N 1.355 0.848 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.74 -71.04 1.05 Allowed Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -111.83 32.5 5.42 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 117.765 0.783 . . . . 0.0 109.794 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -80.15 -32.8 38.84 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.9 -40.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -54.02 -51.19 64.77 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.259 0.936 . . . . 0.0 109.907 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.74 -36.55 81.32 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.54 1.064 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.29 -45.9 91.21 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.276 0.944 . . . . 0.0 109.227 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 t -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.1 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.2 -48.77 77.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.3 77.94 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.765 0.712 . . . . 0.0 109.488 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 14' ' ' MET . 1.2 tmt? -56.72 -50.01 73.47 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.03 -38.42 76.21 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.51 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.31 -45.85 75.27 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.375 0.989 . . . . 0.0 108.736 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.0 mm -57.56 -48.77 82.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -65.49 -32.1 73.53 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.061 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -55.06 -37.53 66.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.953 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.75 -52.77 8.06 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.119 0.872 . . . . 0.0 109.242 175.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.5 -43.47 98.73 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.471 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.27 -42.61 91.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.123 0.874 . . . . 0.0 111.21 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.5 -46.73 75.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -53.52 -38.84 64.13 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.471 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -63.21 -49.46 74.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.826 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.7 -43.23 94.15 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.621 1.555 . . . . 0.0 108.552 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.06 -45.82 86.44 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.818 1.19 . . . . 0.0 108.348 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.73 87.67 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.194 -0.907 . . . . 0.0 109.896 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -109.38 46.1 1.02 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.448 0.567 . . . . 0.0 111.087 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttp . . . . . 0 C--N 1.356 0.878 0 CA-C-O 121.854 0.835 . . . . 0.0 109.724 175.226 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.2 p90 . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.55 164.17 25.62 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.926 2.148 . . . . 0.0 110.221 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -95.82 73.01 3.07 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.5 -79.25 0.21 Allowed Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -87.16 2.44 49.92 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.217 -1.373 . . . . 0.0 112.384 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.33 -44.23 95.69 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.373 1.897 . . . . 0.0 108.059 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tp -46.22 -36.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.286 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -61.57 -51.63 67.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.919 1.236 . . . . 0.0 109.628 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.82 -37.9 77.44 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.448 1.022 . . . . 0.0 109.78 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -66.13 -45.96 79.24 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.576 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -62.35 -40.49 96.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 118.486 0.584 . . . . 0.0 110.64 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.69 -46.71 93.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.61 86.65 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.697 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.44 -44.74 95.51 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.291 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.41 -54.55 42.1 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.543 -0.863 . . . . 0.0 108.702 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.71 -40.44 66.06 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.422 0.555 . . . . 0.0 110.848 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.33 -50.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.06 -27.87 69.2 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.652 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -54.39 -31.08 54.12 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 117.579 -1.2 . . . . 0.0 109.908 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -52.82 8.79 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.078 1.308 . . . . 0.0 108.992 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.06 -42.9 75.65 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.957 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -63.2 -42.32 99.29 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.279 0.945 . . . . 0.0 110.96 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.68 -45.18 75.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -54.15 -39.09 66.2 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.27 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.66 -47.75 82.31 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.306 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.86 -36.85 84.58 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.963 1.711 . . . . 0.0 109.391 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.8 -32.61 74.24 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.27 0.941 . . . . 0.0 109.58 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.1 42.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.634 1.106 . . . . 0.0 108.42 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -96.31 68.53 2.61 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.506 -0.739 0 CA-C-O 122.543 1.163 . . . . 0.0 109.103 -176.309 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.04 93.73 7.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.02 76.39 1.2 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.91 -82.48 0.6 Allowed Glycine 0 C--N 1.356 1.663 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -80.5 -11.12 59.71 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 117.018 -1.468 . . . . 0.0 111.854 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -49.31 -41.58 38.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.075 1.761 . . . . 0.0 110.099 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tp -49.32 -35.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 119.296 0.953 . . . . 0.0 111.246 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -66.18 -56.39 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.293 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.681 1.128 . . . . 0.0 110.28 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.7 -46.75 86.68 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.804 0.729 . . . . 0.0 109.365 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 t -66.53 -39.47 88.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.628 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.2 -49.36 73.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.96 84.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.154 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.0 ttp -55.77 -45.94 78.0 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.81 -50.0 75.51 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.754 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -55.31 -42.72 74.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.123 0.874 . . . . 0.0 110.44 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.73 -48.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -62.4 -31.32 71.98 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.87 -31.1 64.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.031 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -53.7 11.6 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 108.715 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.41 -42.56 83.05 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.875 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.23 -42.78 99.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.324 0.966 . . . . 0.0 110.484 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.67 -45.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -54.37 -39.37 67.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.235 -0.986 . . . . 0.0 109.376 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -63.25 -49.29 74.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.596 1.544 . . . . 0.0 109.426 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.49 -46.79 81.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.584 1.084 . . . . 0.0 108.549 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.38 76.25 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -93.93 70.6 4.0 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--N 1.353 0.759 0 CA-C-O 121.974 0.893 . . . . 0.0 109.504 -174.503 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.1 167.08 22.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.192 0.906 . . . . 0.0 109.473 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -82.86 73.39 9.9 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.1 -69.92 1.23 Allowed Glycine 0 C--N 1.355 1.609 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -111.14 34.43 4.06 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.109 0.954 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -45.75 10.16 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm -49.07 -39.95 12.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 118.106 -0.95 . . . . 0.0 109.046 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -59.03 -57.79 11.54 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.899 1.227 . . . . 0.0 110.793 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.05 -38.57 91.55 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.0 110.84 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.46 -44.95 92.98 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 118.977 0.808 . . . . 0.0 110.242 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -64.54 -41.97 96.02 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.52 -43.97 98.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.28 91.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.115 0.87 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.5 tmm? -57.95 -50.45 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.64 -46.55 80.95 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.598 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.72 -45.31 85.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.8 0.727 . . . . 0.0 109.64 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -59.46 -48.94 85.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.85 -32.78 74.08 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.276 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -50.05 -31.02 12.02 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.877 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.65 -54.85 3.13 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.688 1.131 . . . . 0.0 110.365 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 p-10 -67.91 -36.69 80.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.316 0.962 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 55.7 t80 -69.55 -42.05 75.09 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.394 0.997 . . . . 0.0 110.879 -175.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.76 -46.38 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -55.8 -37.92 69.27 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.567 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.76 -49.89 68.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.026 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.81 -38.48 91.24 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.302 1.41 . . . . 0.0 109.31 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.28 -46.68 85.67 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.413 1.006 . . . . 0.0 108.368 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.98 76.95 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.526 -0.75 . . . . 0.0 109.27 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -102.3 53.69 0.8 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptt . . . . . 0 C--N 1.356 0.853 0 CA-C-O 122.461 1.124 . . . . 0.0 111.718 174.376 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.0 p90 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.82 9.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.95 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.61 49.56 2.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -67.1 2.16 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 m -101.42 12.87 36.6 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-O 118.67 -0.681 . . . . 0.0 109.959 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -72.0 -49.33 37.99 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.504 1.502 . . . . 0.0 108.741 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.11 -36.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 t -52.31 -49.43 64.23 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.543 1.065 . . . . 0.0 109.881 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -60.15 -40.07 88.58 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.509 1.05 . . . . 0.0 110.131 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.4 -49.11 76.81 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.188 0.904 . . . . 0.0 109.783 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -57.31 -42.6 82.13 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.107 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.09 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.54 82.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.325 0.966 . . . . 0.0 109.686 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.2 mtp -58.32 -48.16 81.43 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 119.614 -0.835 . . . . 0.0 108.833 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.83 -47.41 80.38 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.596 -0.841 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.21 -42.39 86.1 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.396 0.544 . . . . 0.0 109.745 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.19 -48.77 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.59 -33.07 71.0 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.012 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -54.38 -30.93 53.53 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.301 -1.333 . . . . 0.0 110.291 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -54.03 12.33 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.709 1.595 . . . . 0.0 108.948 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.48 -46.21 70.3 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.137 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.08 -39.59 92.95 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.737 1.153 . . . . 0.0 110.857 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.7 -46.4 89.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -56.02 -39.23 71.62 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 119.25 -0.98 . . . . 0.0 109.577 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.54 -53.29 54.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.19 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.58 -37.8 85.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.947 1.249 . . . . 0.0 110.275 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.36 -47.79 77.97 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.5 81.59 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.532 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -107.33 56.56 0.64 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.505 0.593 . . . . 0.0 110.701 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.721 0.772 . . . . 0.0 109.568 171.497 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.109 -0.472 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.02 64.56 1.81 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.861 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.55 78.88 0.8 Allowed 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.93 -64.33 0.02 OUTLIER Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 m -107.24 44.87 1.03 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -92.16 -46.46 7.74 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.587 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.3 mm -53.26 -39.52 35.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -54.36 -52.92 60.1 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.352 0.978 . . . . 0.0 110.013 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.63 -39.4 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.938 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -59.72 -49.41 77.86 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.398 0.999 . . . . 0.0 109.522 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -61.07 -42.75 99.08 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 118.768 0.713 . . . . 0.0 110.504 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.44 -49.53 80.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.61 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.396 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -61.67 -47.26 86.15 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.81 -40.92 90.02 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.087 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.599 1.09 . . . . 0.0 110.194 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.8 -52.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -63.48 -45.62 89.92 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.237 -171.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -45.34 -27.26 0.64 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.408 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.8 -52.45 3.98 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.134 1.333 . . . . 0.0 109.44 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.08 -36.97 86.0 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.557 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -67.89 -43.2 79.87 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.921 0.782 . . . . 0.0 110.982 -176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.31 -46.15 66.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -54.16 -38.73 65.85 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.181 0.901 . . . . 0.0 109.406 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -64.12 -44.72 91.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.223 -1.37 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.69 -35.86 77.74 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.067 1.758 . . . . 0.0 109.41 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.46 -27.7 68.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.74 -47.5 38.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.694 1.134 . . . . 0.0 108.555 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -103.29 74.43 1.28 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp . . . . . 0 C--N 1.353 0.738 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.22 170.38 0.08 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 172.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.86 64.96 1.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.33 -82.74 0.24 Allowed Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -77.31 -5.83 50.94 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.577 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -60.58 -34.33 74.03 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.773 1.624 . . . . 0.0 109.485 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -53.62 -42.17 49.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -57.34 -48.71 78.3 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.866 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -60.07 -36.42 77.32 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.686 1.13 . . . . 0.0 110.156 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.08 -52.17 64.97 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.56 1.073 . . . . 0.0 109.062 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.4 t -59.38 -39.36 83.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.727 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.17 -48.32 78.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.44 88.04 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 109.949 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.0 ttp -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.71 -35.57 78.41 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.11 -47.24 71.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.49 -50.94 75.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -65.34 -30.64 71.5 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.138 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -48.28 -33.77 9.3 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.411 1.005 . . . . 0.0 110.062 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -43.29 -55.02 4.25 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.236 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -63.74 -37.28 86.77 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.944 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.5 -42.04 96.07 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 118.764 0.711 . . . . 0.0 110.541 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.42 -51.32 34.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -51.28 -39.63 57.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.804 -0.759 . . . . 0.0 109.56 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -66.37 -52.41 47.21 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.01 -34.32 77.32 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.876 1.671 . . . . 0.0 109.945 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.11 -47.08 81.39 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.22 91.66 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.613 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -92.8 74.64 4.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--N 1.355 0.844 0 CA-C-O 122.638 1.209 . . . . 0.0 108.347 -178.46 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.83 61.89 0.72 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.26 84.22 0.25 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.91 -58.89 0.07 OUTLIER Glycine 0 C--N 1.352 1.458 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -110.06 36.22 3.1 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -83.56 -30.1 27.3 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.084 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.2 mt -56.4 -45.6 81.72 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.8 m -55.28 -49.44 72.09 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.451 -0.899 . . . . 0.0 109.361 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -41.97 87.18 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.169 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -62.7 -46.6 87.38 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.602 0.637 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -64.0 -42.76 97.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.413 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.6 mm -63.37 -46.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.77 93.22 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.316 0.962 . . . . 0.0 109.979 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 tpt -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.96 -44.55 97.16 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.573 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -59.9 -41.6 92.0 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 118.876 0.762 . . . . 0.0 109.54 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.94 -49.78 82.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -62.77 -32.89 74.13 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.414 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -51.61 -28.01 12.93 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.296 -1.335 . . . . 0.0 110.251 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.61 -54.71 7.28 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.224 1.375 . . . . 0.0 109.577 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.76 -33.22 73.53 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.911 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -69.74 -45.64 67.69 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.23 0.923 . . . . 0.0 109.441 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.43 -48.5 80.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -54.32 -40.07 67.64 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.531 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -63.07 -49.33 74.92 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.887 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.21 -41.31 97.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.496 1.498 . . . . 0.0 108.448 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.5 -46.36 89.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.857 1.208 . . . . 0.0 108.588 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.42 80.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.312 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -104.56 62.02 0.72 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 C--N 1.357 0.897 0 CA-C-O 122.287 1.042 . . . . 0.0 110.761 179.61 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.6 113.94 7.36 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.43 74.58 4.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.41 -64.18 0.03 OUTLIER Glycine 0 C--N 1.354 1.529 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -176.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.4 p -99.17 28.86 4.19 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 117.965 0.882 . . . . 0.0 110.088 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.59 -28.74 62.97 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.091 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -42.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 -51.26 63.97 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 121.375 -0.828 . . . . 0.0 108.787 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -57.16 -35.16 69.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.599 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.85 -49.71 60.64 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.401 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 m -61.5 -41.96 98.07 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.111 0.869 . . . . 0.0 109.435 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.04 -47.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.7 92.84 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.103 0.865 . . . . 0.0 110.627 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 ttp -60.61 -50.23 74.34 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.46 -37.48 72.93 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -64.78 -40.96 96.12 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.949 0.795 . . . . 0.0 109.278 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -66.6 -52.92 40.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.79 -29.18 69.29 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.756 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -46.61 -37.31 7.98 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.01 0.823 . . . . 0.0 109.646 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.906 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.84 -36.58 84.37 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.636 1.107 . . . . 0.0 110.379 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.25 -43.79 81.02 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.769 0.713 . . . . 0.0 110.218 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.8 -47.67 68.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -54.17 -40.85 67.88 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.373 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -63.77 -50.44 69.02 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.919 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.28 -37.03 86.06 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.279 1.399 . . . . 0.0 109.372 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.74 -46.91 85.87 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.954 1.252 . . . . 0.0 108.27 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.76 83.16 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.194 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.65 67.52 1.28 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 tttp . . . . . 0 C--N 1.353 0.731 0 CA-C-O 122.613 1.196 . . . . 0.0 109.291 -176.317 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 70.4 t80 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 117.657 -1.163 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.97 60.6 3.7 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.584 1.083 . . . . 0.0 110.233 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.19 79.64 0.7 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 -66.37 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -106.71 39.71 1.79 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.88 -37.93 33.73 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.172 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -45.52 -38.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.314 0.961 . . . . 0.0 111.04 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 m -64.03 -49.59 71.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.3 0.955 . . . . 0.0 108.84 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.72 -40.04 78.67 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.196 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -64.66 -46.76 81.1 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.088 0.858 . . . . 0.0 110.141 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -64.73 -42.23 95.37 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 118.687 0.676 . . . . 0.0 109.946 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.49 -46.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.94 96.96 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.816 0.734 . . . . 0.0 110.09 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.02 -45.61 92.24 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.79 -46.93 88.57 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.005 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -54.67 -42.59 71.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.619 0.645 . . . . 0.0 109.943 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.85 -50.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -60.28 -33.09 71.85 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.785 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -46.22 -34.76 4.61 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.219 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.83 -51.84 5.28 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.61 1.095 . . . . 0.0 110.227 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.56 -39.91 92.24 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.475 1.034 . . . . 0.0 110.468 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.93 -44.26 85.64 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 111.071 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.21 -48.08 70.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -56.61 -40.79 75.93 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.594 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -63.99 -49.97 70.38 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.838 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.12 -43.78 97.44 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.993 1.27 . . . . 0.0 108.225 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.04 -45.54 86.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.844 1.202 . . . . 0.0 108.379 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.42 88.88 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.0 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -112.19 46.78 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.586 0.63 . . . . 0.0 110.968 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--N 1.355 0.825 0 CA-C-O 122.814 1.293 . . . . 0.0 109.75 175.437 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.65 166.51 14.05 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.6 79.43 3.27 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.67 -60.27 0.07 OUTLIER Glycine 0 C--N 1.352 1.442 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.3 m -102.49 46.33 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -92.35 -47.94 6.92 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -38.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -55.22 -53.13 59.94 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.26 1.391 . . . . 0.0 109.273 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.45 -37.57 73.04 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.97 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.21 -46.67 87.86 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.394 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -63.58 -41.99 98.32 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.978 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.61 -46.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.81 85.35 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.518 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -45.75 92.18 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.53 -39.14 89.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.352 -0.833 . . . . 0.0 110.229 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.1 -44.66 79.4 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.21 -50.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -66.87 -28.95 68.75 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.623 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -51.0 -38.32 50.53 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.91 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.15 -51.98 5.72 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.629 0.649 . . . . 0.0 109.929 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.43 -45.18 92.1 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.249 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.16 -44.43 87.94 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.317 0.962 . . . . 0.0 111.419 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.19 -52.05 37.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -51.4 -39.85 58.07 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -64.9 -49.68 69.5 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.739 -1.124 . . . . 0.0 111.067 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.12 -38.88 92.1 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.374 1.443 . . . . 0.0 108.934 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.71 -46.63 87.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.866 1.212 . . . . 0.0 108.003 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.19 73.91 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.742 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -110.65 45.48 1.14 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.05 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.355 0.816 0 CA-C-O 122.397 1.094 . . . . 0.0 112.42 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.33 151.26 23.9 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.723 1.147 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.81 65.56 8.43 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.53 -87.16 1.28 Allowed Glycine 0 C--N 1.356 1.651 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.8 p -68.92 -16.53 63.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -39.75 -46.39 1.9 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.427 1.467 . . . . 0.0 112.132 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp -48.26 -37.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 119.195 0.907 . . . . 0.0 110.714 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -62.9 -50.97 68.76 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.012 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -60.58 -34.77 74.69 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.708 1.14 . . . . 0.0 110.03 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -64.51 -45.22 88.16 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.294 0.952 . . . . 0.0 109.214 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -63.44 -40.06 96.15 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 118.701 0.682 . . . . 0.0 110.915 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.52 -49.28 72.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.71 78.62 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.492 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ttt -57.16 -48.14 79.46 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.12 -52.2 66.74 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.249 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.6 -39.51 77.0 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 118.429 0.559 . . . . 0.0 110.883 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.01 -48.32 86.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -61.6 -30.61 70.8 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.859 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -53.75 -29.95 42.13 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.133 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -54.16 12.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.519 1.509 . . . . 0.0 108.919 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -66.32 -41.9 89.0 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.59 -45.22 91.4 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.493 1.042 . . . . 0.0 111.105 -173.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.26 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -53.84 -37.81 63.99 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.464 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -65.22 -52.1 56.78 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.801 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.0 -36.51 79.68 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 121.018 1.736 . . . . 0.0 109.402 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -47.27 82.16 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.35 -40.79 75.06 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -96.89 62.1 1.86 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.244 1.021 . . . . 0.0 109.086 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.43 172.88 6.69 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.646 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.22 74.45 0.34 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.581 0.628 . . . . 0.0 109.459 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.82 -72.22 0.96 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -109.84 31.28 5.95 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 117.766 0.783 . . . . 0.0 109.508 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -47.85 16.09 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -44.73 -35.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.126 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -63.53 -53.62 48.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.53 1.059 . . . . 0.0 109.423 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.94 -37.73 77.39 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.688 1.131 . . . . 0.0 109.733 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.28 -46.5 89.62 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.186 0.903 . . . . 0.0 108.975 175.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -58.99 -41.14 86.92 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 119.093 0.86 . . . . 0.0 109.935 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.64 -46.79 85.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.569 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.5 86.11 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.677 1.126 . . . . 0.0 109.74 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -48.78 69.56 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.87 -40.18 94.51 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.16 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -60.72 -40.98 94.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.856 0.753 . . . . 0.0 109.448 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.38 -54.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -64.47 -25.17 67.88 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.764 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -53.84 -38.08 64.29 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.519 1.054 . . . . 0.0 109.245 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -51.36 7.22 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.822 0.737 . . . . 0.0 109.622 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.223 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.77 -43.31 94.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.39 0.996 . . . . 0.0 111.476 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.62 -49.87 60.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -53.29 -38.85 63.49 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.607 176.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -64.84 -52.68 55.4 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.651 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.54 -40.25 90.87 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.403 1.456 . . . . 0.0 108.685 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.53 -46.17 91.06 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.29 0.95 . . . . 0.0 108.449 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -38.84 74.44 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -102.43 46.45 0.92 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.776 -0.631 . . . . 0.0 110.293 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.353 0.752 0 CA-C-O 121.863 0.839 . . . . 0.0 109.976 178.043 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.16 56.7 7.51 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.734 0.647 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -73.71 81.54 1.57 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.53 -60.53 0.03 OUTLIER Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -111.31 38.63 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -84.75 -47.86 10.0 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tp -46.89 -35.81 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.82 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.3 m -61.76 -50.66 71.48 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.536 1.062 . . . . 0.0 109.917 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.44 -38.8 81.65 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.635 1.107 . . . . 0.0 109.751 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.66 -44.33 90.74 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.795 0.725 . . . . 0.0 110.407 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -66.27 -42.25 88.73 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.689 0.677 . . . . 0.0 110.002 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.11 -47.47 92.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.1 89.35 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.685 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ttp -57.59 -48.51 79.18 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.18 -50.89 71.44 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.316 -0.85 . . . . 0.0 108.754 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.57 -45.62 57.28 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.842 0.747 . . . . 0.0 110.441 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.21 -49.41 81.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.85 -30.26 70.73 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.188 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.49 -31.21 63.84 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.861 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.37 -51.43 8.56 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.272 1.396 . . . . 0.0 109.033 174.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.5 -44.09 79.3 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.71 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -62.99 -42.05 99.73 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.341 0.973 . . . . 0.0 111.681 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.7 t -70.84 -48.58 56.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -53.1 -37.89 62.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.318 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -65.57 -51.72 57.64 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.832 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.81 -36.44 81.13 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.916 1.689 . . . . 0.0 109.577 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.21 -47.61 79.06 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.92 74.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.704 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -100.8 57.67 0.9 Allowed 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.353 0.737 0 CA-C-O 122.186 0.993 . . . . 0.0 111.185 176.071 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.77 59.48 0.86 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.58 74.13 8.58 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.62 -69.38 0.01 OUTLIER Glycine 0 C--N 1.354 1.552 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -105.3 43.32 1.13 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 173.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.42 -42.29 36.71 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.882 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -45.01 -38.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 119.111 0.869 . . . . 0.0 111.622 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -65.46 -50.31 65.85 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.559 1.072 . . . . 0.0 108.747 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.61 -39.96 74.51 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.993 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -61.86 -47.99 82.53 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 118.999 0.818 . . . . 0.0 109.77 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -63.29 -44.64 94.47 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.512 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.53 -45.69 91.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -43.23 91.29 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.29 0.95 . . . . 0.0 110.089 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.5 79.32 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.62 -48.01 82.44 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.305 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.7 mt -56.56 -49.36 77.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -64.48 -25.0 67.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.158 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -52.3 -36.17 52.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 120.586 1.539 . . . . 0.0 109.256 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.87 -51.21 2.45 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.284 0.947 . . . . 0.0 110.169 175.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.82 -47.16 72.88 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.767 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.58 -44.39 93.33 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.503 1.047 . . . . 0.0 111.699 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.22 -45.99 81.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -56.01 -39.4 71.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.546 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -63.65 -47.14 82.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.729 -1.129 . . . . 0.0 111.427 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.01 -35.96 81.07 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.668 1.576 . . . . 0.0 109.519 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.46 -30.9 71.35 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.352 0.978 . . . . 0.0 109.767 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.32 67.04 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.472 1.033 . . . . 0.0 108.7 173.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.58 77.16 1.17 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.052 1.406 . . . . 0.0 107.56 177.225 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.89 171.29 14.29 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.034 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.22 65.12 3.51 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.9 -77.4 0.39 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-O 118.366 -1.241 . . . . 0.0 110.195 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -104.86 34.11 3.32 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.05 0.925 . . . . 0.0 109.328 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.24 -11.4 54.94 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 116.664 -1.636 . . . . 0.0 110.491 172.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm -66.92 -46.26 85.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 121.708 2.049 . . . . 0.0 106.861 174.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -62.45 -50.02 73.12 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.26 -43.55 92.47 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.216 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.43 -50.55 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.69 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.6 t -57.1 -43.31 82.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.109 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.01 -44.5 92.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.82 92.84 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.235 0.925 . . . . 0.0 110.103 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttp -60.26 -48.05 83.38 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.6 -37.59 76.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.115 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -51.19 63.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.04 -51.01 66.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -61.83 -33.01 73.38 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.417 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -48.53 -34.52 11.47 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.122 0.873 . . . . 0.0 110.041 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -41.02 -53.65 2.95 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.656 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.87 -37.09 85.48 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.352 0.978 . . . . 0.0 110.2 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -64.9 -44.61 89.05 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.91 0.777 . . . . 0.0 110.418 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.56 -50.09 53.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -52.35 -39.24 60.47 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.509 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -65.24 -48.15 74.3 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.431 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.82 -35.48 80.14 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.776 1.625 . . . . 0.0 110.035 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.93 -37.58 84.59 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.16 0.891 . . . . 0.0 108.871 177.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.67 92.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.028 0.831 . . . . 0.0 109.191 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.32 71.61 0.75 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--N 1.353 0.733 0 CA-C-O 122.415 1.102 . . . . 0.0 108.484 175.829 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 117.352 -1.309 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.15 179.44 0.06 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.366 0.985 . . . . 0.0 112.424 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -137.9 53.85 1.82 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.05 -71.25 0.88 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-O 118.475 -1.181 . . . . 0.0 110.861 -174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.0 m -106.34 31.44 5.17 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 117.953 0.876 . . . . 0.0 108.692 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -74.9 -39.56 61.38 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.166 -0.921 . . . . 0.0 108.755 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tp -48.34 -36.46 6.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 118.987 0.812 . . . . 0.0 111.256 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.7 m -67.29 -50.66 59.39 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.3 -40.46 71.12 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -64.71 -45.14 87.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.156 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -66.61 -38.62 87.36 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.1 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.18 -46.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.657 0.662 . . . . 0.0 109.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -46.1 88.49 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.97 -39.62 90.3 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.866 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.4 -40.46 97.27 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.145 0.884 . . . . 0.0 109.866 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.67 -51.71 66.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -64.31 -26.37 68.46 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.388 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -53.49 -40.12 65.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.532 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -51.14 5.48 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.481 0.582 . . . . 0.0 109.697 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.37 -43.79 93.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.427 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.87 -45.48 93.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 111.782 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.39 -47.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.6 -38.18 63.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.613 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -65.44 -49.4 69.28 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.045 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.27 -38.6 91.62 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.44 1.473 . . . . 0.0 109.163 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.31 -47.03 80.98 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.78 -41.88 74.72 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.328 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -103.27 55.07 0.75 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 tptt . . . . . 0 C--N 1.355 0.822 0 CA-C-O 122.45 1.119 . . . . 0.0 111.533 174.2 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.6 p90 . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.31 170.76 18.73 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.182 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.89 76.83 5.38 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.93 -72.17 0.9 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -105.33 29.77 6.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.859 0.83 . . . . 0.0 109.813 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -34.9 29.54 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.56 -41.18 36.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -54.75 -50.5 68.25 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 109.987 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.94 -35.96 79.96 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.448 1.022 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.38 -48.71 74.41 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.511 1.05 . . . . 0.0 109.902 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m -64.01 -42.95 96.97 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.509 0.595 . . . . 0.0 110.329 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.16 -47.81 90.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.49 94.38 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.725 0.693 . . . . 0.0 110.331 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 ttp -59.66 -47.83 84.08 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -59.74 -47.36 85.98 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.912 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -54.2 -42.29 69.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.534 0.606 . . . . 0.0 109.849 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.45 -50.27 76.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -59.89 -29.69 68.5 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.264 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.96 -32.84 61.8 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-O 117.382 -1.295 . . . . 0.0 109.991 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.21 -52.06 5.79 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.948 1.249 . . . . 0.0 109.338 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.31 -44.9 78.05 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.517 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.5 -42.15 95.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.369 0.986 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.55 -49.69 34.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -51.25 -39.24 56.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.479 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -66.6 -47.26 73.24 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.747 -1.121 . . . . 0.0 111.405 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.27 -41.02 97.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.632 1.56 . . . . 0.0 108.298 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.75 -44.79 96.22 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.87 77.78 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.277 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -101.95 50.56 0.84 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.347 0.521 . . . . 0.0 110.561 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.356 0.852 0 CA-C-O 122.797 1.284 . . . . 0.0 109.736 174.734 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.28 62.33 0.6 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.72 81.96 0.44 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -176.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.73 -65.14 0.03 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -103.63 49.94 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.59 -48.43 6.85 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -43.97 -39.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.961 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -64.48 -51.22 64.09 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.688 1.131 . . . . 0.0 108.535 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -56.59 -39.79 74.15 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.914 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.39 -45.77 91.63 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.511 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t -64.37 -42.2 96.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.272 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.21 -46.71 95.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.78 85.5 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.607 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -49.52 77.12 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.75 -40.36 75.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.463 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -63.87 -42.07 97.61 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.384 0.993 . . . . 0.0 109.225 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.95 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.57 -34.09 74.98 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.015 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -54.73 -34.78 62.93 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.213 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.33 -50.06 12.38 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.023 0.829 . . . . 0.0 109.213 174.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.53 -45.41 93.09 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.051 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.17 -43.29 92.12 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.901 0.773 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.45 -46.11 72.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -54.26 -37.06 64.28 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.705 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -65.59 -49.5 68.59 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.825 -1.083 . . . . 0.0 111.122 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.53 -37.26 86.93 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.37 1.441 . . . . 0.0 109.519 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.79 -46.64 81.23 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.22 73.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.011 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -100.96 56.52 0.86 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 C--N 1.354 0.797 0 CA-C-O 122.38 1.086 . . . . 0.0 112.26 174.769 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.291 0.95 . . . . 0.0 108.852 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -58.9 -35.52 73.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.347 0.976 . . . . 0.0 109.947 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 90.6 t80 -62.51 -45.61 92.2 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.05 0.841 . . . . 0.0 109.816 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -63.56 -44.78 93.14 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.773 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.77 -41.74 93.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.16 82.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.091 0.86 . . . . 0.0 109.081 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.423 ' SD ' ' CE2' ' A' ' 10' ' ' TYR . 86.8 mtp -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.09 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.625 1.102 . . . . 0.0 108.616 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.53 -43.26 84.2 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.824 0.738 . . . . 0.0 110.761 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.96 -53.8 33.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -62.53 -30.85 71.6 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.219 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -51.68 -33.92 36.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.544 -1.217 . . . . 0.0 109.803 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -50.6 10.34 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.055 1.298 . . . . 0.0 109.198 174.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -46.08 85.85 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.622 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -62.82 -41.6 99.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.377 0.99 . . . . 0.0 111.877 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.27 -46.79 76.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.5 -38.39 71.71 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.633 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -63.83 -50.68 67.93 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.717 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.27 -44.55 96.26 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 120.006 1.275 . . . . 0.0 108.132 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.56 -45.41 89.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.682 1.128 . . . . 0.0 108.823 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.88 81.22 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -108.4 45.69 1.01 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--N 1.356 0.86 0 CA-C-O 122.857 1.313 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -54.02 -51.19 64.77 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.259 0.936 . . . . 0.0 109.907 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.74 -36.55 81.32 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.54 1.064 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.29 -45.9 91.21 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.276 0.944 . . . . 0.0 109.227 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 t -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.1 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.2 -48.77 77.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.3 77.94 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.765 0.712 . . . . 0.0 109.488 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 14' ' ' MET . 1.2 tmt? -56.72 -50.01 73.47 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.03 -38.42 76.21 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.51 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.31 -45.85 75.27 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.375 0.989 . . . . 0.0 108.736 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.0 mm -57.56 -48.77 82.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -65.49 -32.1 73.53 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.061 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -55.06 -37.53 66.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.953 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.75 -52.77 8.06 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.119 0.872 . . . . 0.0 109.242 175.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.5 -43.47 98.73 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.471 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.27 -42.61 91.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.123 0.874 . . . . 0.0 111.21 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.5 -46.73 75.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -53.52 -38.84 64.13 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.471 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -63.21 -49.46 74.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.826 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.7 -43.23 94.15 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.621 1.555 . . . . 0.0 108.552 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.06 -45.82 86.44 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.818 1.19 . . . . 0.0 108.348 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.73 87.67 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.194 -0.907 . . . . 0.0 109.896 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -109.38 46.1 1.02 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.448 0.567 . . . . 0.0 111.087 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttp . . . . . 0 C--N 1.356 0.878 0 CA-C-O 121.854 0.835 . . . . 0.0 109.724 175.226 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 CA--C 1.512 -0.508 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -61.57 -51.63 67.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.919 1.236 . . . . 0.0 109.628 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.82 -37.9 77.44 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.448 1.022 . . . . 0.0 109.78 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -66.13 -45.96 79.24 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.576 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -62.35 -40.49 96.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 118.486 0.584 . . . . 0.0 110.64 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.69 -46.71 93.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.61 86.65 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.697 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.44 -44.74 95.51 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.291 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.41 -54.55 42.1 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.543 -0.863 . . . . 0.0 108.702 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.71 -40.44 66.06 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.422 0.555 . . . . 0.0 110.848 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.33 -50.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.06 -27.87 69.2 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.652 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -54.39 -31.08 54.12 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 117.579 -1.2 . . . . 0.0 109.908 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -52.82 8.79 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.078 1.308 . . . . 0.0 108.992 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.06 -42.9 75.65 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.957 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -63.2 -42.32 99.29 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.279 0.945 . . . . 0.0 110.96 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.68 -45.18 75.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -54.15 -39.09 66.2 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.27 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.66 -47.75 82.31 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.306 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.86 -36.85 84.58 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.963 1.711 . . . . 0.0 109.391 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.8 -32.61 74.24 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.27 0.941 . . . . 0.0 109.58 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.1 42.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.634 1.106 . . . . 0.0 108.42 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -96.31 68.53 2.61 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.506 -0.739 0 CA-C-O 122.543 1.163 . . . . 0.0 109.103 -176.309 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tp . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -66.18 -56.39 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.293 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.681 1.128 . . . . 0.0 110.28 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.7 -46.75 86.68 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.804 0.729 . . . . 0.0 109.365 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 t -66.53 -39.47 88.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.628 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.2 -49.36 73.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.96 84.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.154 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.0 ttp -55.77 -45.94 78.0 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.81 -50.0 75.51 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.754 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -55.31 -42.72 74.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.123 0.874 . . . . 0.0 110.44 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.73 -48.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -62.4 -31.32 71.98 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.87 -31.1 64.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.031 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -53.7 11.6 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 108.715 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.41 -42.56 83.05 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.875 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.23 -42.78 99.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.324 0.966 . . . . 0.0 110.484 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.67 -45.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -54.37 -39.37 67.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.235 -0.986 . . . . 0.0 109.376 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -63.25 -49.29 74.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.596 1.544 . . . . 0.0 109.426 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.49 -46.79 81.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.584 1.084 . . . . 0.0 108.549 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.38 76.25 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -93.93 70.6 4.0 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--N 1.353 0.759 0 CA-C-O 121.974 0.893 . . . . 0.0 109.504 -174.503 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -59.03 -57.79 11.54 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.899 1.227 . . . . 0.0 110.793 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.05 -38.57 91.55 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.0 110.84 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.46 -44.95 92.98 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 118.977 0.808 . . . . 0.0 110.242 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -64.54 -41.97 96.02 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.52 -43.97 98.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.28 91.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.115 0.87 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.5 tmm? -57.95 -50.45 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.64 -46.55 80.95 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.598 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.72 -45.31 85.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.8 0.727 . . . . 0.0 109.64 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -59.46 -48.94 85.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.85 -32.78 74.08 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.276 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -50.05 -31.02 12.02 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.877 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.65 -54.85 3.13 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.688 1.131 . . . . 0.0 110.365 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 p-10 -67.91 -36.69 80.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.316 0.962 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 55.7 t80 -69.55 -42.05 75.09 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.394 0.997 . . . . 0.0 110.879 -175.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.76 -46.38 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -55.8 -37.92 69.27 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.567 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.76 -49.89 68.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.026 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.81 -38.48 91.24 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.302 1.41 . . . . 0.0 109.31 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.28 -46.68 85.67 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.413 1.006 . . . . 0.0 108.368 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.98 76.95 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.526 -0.75 . . . . 0.0 109.27 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -102.3 53.69 0.8 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptt . . . . . 0 C--N 1.356 0.853 0 CA-C-O 122.461 1.124 . . . . 0.0 111.718 174.376 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 t -52.31 -49.43 64.23 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.543 1.065 . . . . 0.0 109.881 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -60.15 -40.07 88.58 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.509 1.05 . . . . 0.0 110.131 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.4 -49.11 76.81 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.188 0.904 . . . . 0.0 109.783 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -57.31 -42.6 82.13 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.107 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.09 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.54 82.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.325 0.966 . . . . 0.0 109.686 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.2 mtp -58.32 -48.16 81.43 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 119.614 -0.835 . . . . 0.0 108.833 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.83 -47.41 80.38 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.596 -0.841 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.21 -42.39 86.1 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.396 0.544 . . . . 0.0 109.745 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.19 -48.77 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.59 -33.07 71.0 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.012 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -54.38 -30.93 53.53 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.301 -1.333 . . . . 0.0 110.291 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -54.03 12.33 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.709 1.595 . . . . 0.0 108.948 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.48 -46.21 70.3 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.137 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.08 -39.59 92.95 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.737 1.153 . . . . 0.0 110.857 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.7 -46.4 89.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -56.02 -39.23 71.62 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 119.25 -0.98 . . . . 0.0 109.577 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.54 -53.29 54.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.19 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.58 -37.8 85.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.947 1.249 . . . . 0.0 110.275 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.36 -47.79 77.97 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.5 81.59 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.532 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -107.33 56.56 0.64 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.505 0.593 . . . . 0.0 110.701 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.721 0.772 . . . . 0.0 109.568 171.497 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -54.36 -52.92 60.1 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.352 0.978 . . . . 0.0 110.013 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.63 -39.4 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.938 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -59.72 -49.41 77.86 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.398 0.999 . . . . 0.0 109.522 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -61.07 -42.75 99.08 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 118.768 0.713 . . . . 0.0 110.504 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.44 -49.53 80.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.61 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.396 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -61.67 -47.26 86.15 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.81 -40.92 90.02 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.087 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.599 1.09 . . . . 0.0 110.194 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.8 -52.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -63.48 -45.62 89.92 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.237 -171.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -45.34 -27.26 0.64 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.408 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.8 -52.45 3.98 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.134 1.333 . . . . 0.0 109.44 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.08 -36.97 86.0 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.557 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -67.89 -43.2 79.87 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.921 0.782 . . . . 0.0 110.982 -176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.31 -46.15 66.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -54.16 -38.73 65.85 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.181 0.901 . . . . 0.0 109.406 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -64.12 -44.72 91.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.223 -1.37 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.69 -35.86 77.74 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.067 1.758 . . . . 0.0 109.41 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.46 -27.7 68.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.74 -47.5 38.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.694 1.134 . . . . 0.0 108.555 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -103.29 74.43 1.28 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp . . . . . 0 C--N 1.353 0.738 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt . . . . . 0 CA--C 1.513 -0.463 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -57.34 -48.71 78.3 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.866 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -60.07 -36.42 77.32 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.686 1.13 . . . . 0.0 110.156 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.08 -52.17 64.97 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.56 1.073 . . . . 0.0 109.062 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.4 t -59.38 -39.36 83.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.727 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.17 -48.32 78.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.44 88.04 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 109.949 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.0 ttp -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.71 -35.57 78.41 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.11 -47.24 71.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.49 -50.94 75.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -65.34 -30.64 71.5 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.138 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -48.28 -33.77 9.3 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.411 1.005 . . . . 0.0 110.062 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -43.29 -55.02 4.25 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.236 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -63.74 -37.28 86.77 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.944 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.5 -42.04 96.07 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 118.764 0.711 . . . . 0.0 110.541 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.42 -51.32 34.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -51.28 -39.63 57.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.804 -0.759 . . . . 0.0 109.56 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -66.37 -52.41 47.21 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.01 -34.32 77.32 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.876 1.671 . . . . 0.0 109.945 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.11 -47.08 81.39 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.22 91.66 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.613 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -92.8 74.64 4.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--N 1.355 0.844 0 CA-C-O 122.638 1.209 . . . . 0.0 108.347 -178.46 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.8 m -55.28 -49.44 72.09 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.451 -0.899 . . . . 0.0 109.361 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -41.97 87.18 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.169 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -62.7 -46.6 87.38 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.602 0.637 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -64.0 -42.76 97.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.413 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.6 mm -63.37 -46.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.77 93.22 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.316 0.962 . . . . 0.0 109.979 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 tpt -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.96 -44.55 97.16 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.573 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -59.9 -41.6 92.0 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 118.876 0.762 . . . . 0.0 109.54 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.94 -49.78 82.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -62.77 -32.89 74.13 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.414 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -51.61 -28.01 12.93 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.296 -1.335 . . . . 0.0 110.251 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.61 -54.71 7.28 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.224 1.375 . . . . 0.0 109.577 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.76 -33.22 73.53 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.911 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -69.74 -45.64 67.69 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.23 0.923 . . . . 0.0 109.441 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.43 -48.5 80.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -54.32 -40.07 67.64 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.531 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -63.07 -49.33 74.92 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.887 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.21 -41.31 97.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.496 1.498 . . . . 0.0 108.448 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.5 -46.36 89.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.857 1.208 . . . . 0.0 108.588 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.42 80.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.312 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -104.56 62.02 0.72 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 C--N 1.357 0.897 0 CA-C-O 122.287 1.042 . . . . 0.0 110.761 179.61 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 -51.26 63.97 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 121.375 -0.828 . . . . 0.0 108.787 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -57.16 -35.16 69.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.599 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.85 -49.71 60.64 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.401 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 m -61.5 -41.96 98.07 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.111 0.869 . . . . 0.0 109.435 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.04 -47.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.7 92.84 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.103 0.865 . . . . 0.0 110.627 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 ttp -60.61 -50.23 74.34 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.46 -37.48 72.93 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -64.78 -40.96 96.12 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.949 0.795 . . . . 0.0 109.278 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -66.6 -52.92 40.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.79 -29.18 69.29 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.756 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -46.61 -37.31 7.98 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.01 0.823 . . . . 0.0 109.646 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.906 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.84 -36.58 84.37 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.636 1.107 . . . . 0.0 110.379 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.25 -43.79 81.02 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.769 0.713 . . . . 0.0 110.218 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.8 -47.67 68.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -54.17 -40.85 67.88 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.373 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -63.77 -50.44 69.02 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.919 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.28 -37.03 86.06 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.279 1.399 . . . . 0.0 109.372 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.74 -46.91 85.87 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.954 1.252 . . . . 0.0 108.27 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.76 83.16 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.194 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.65 67.52 1.28 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 tttp . . . . . 0 C--N 1.353 0.731 0 CA-C-O 122.613 1.196 . . . . 0.0 109.291 -176.317 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 CA--C 1.514 -0.434 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 m -64.03 -49.59 71.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.3 0.955 . . . . 0.0 108.84 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.72 -40.04 78.67 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.196 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -64.66 -46.76 81.1 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.088 0.858 . . . . 0.0 110.141 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -64.73 -42.23 95.37 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 118.687 0.676 . . . . 0.0 109.946 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.49 -46.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.94 96.96 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.816 0.734 . . . . 0.0 110.09 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.02 -45.61 92.24 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.79 -46.93 88.57 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.005 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -54.67 -42.59 71.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.619 0.645 . . . . 0.0 109.943 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.85 -50.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -60.28 -33.09 71.85 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.785 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -46.22 -34.76 4.61 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.219 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.83 -51.84 5.28 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.61 1.095 . . . . 0.0 110.227 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.56 -39.91 92.24 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.475 1.034 . . . . 0.0 110.468 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.93 -44.26 85.64 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 111.071 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.21 -48.08 70.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -56.61 -40.79 75.93 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.594 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -63.99 -49.97 70.38 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.838 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.12 -43.78 97.44 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.993 1.27 . . . . 0.0 108.225 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.04 -45.54 86.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.844 1.202 . . . . 0.0 108.379 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.42 88.88 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.0 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -112.19 46.78 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.586 0.63 . . . . 0.0 110.968 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--N 1.355 0.825 0 CA-C-O 122.814 1.293 . . . . 0.0 109.75 175.437 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.52 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -55.22 -53.13 59.94 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.26 1.391 . . . . 0.0 109.273 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.45 -37.57 73.04 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.97 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.21 -46.67 87.86 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.394 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -63.58 -41.99 98.32 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.978 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.61 -46.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.81 85.35 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.518 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -45.75 92.18 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.53 -39.14 89.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.352 -0.833 . . . . 0.0 110.229 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.1 -44.66 79.4 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.21 -50.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -66.87 -28.95 68.75 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.623 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -51.0 -38.32 50.53 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.91 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.15 -51.98 5.72 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.629 0.649 . . . . 0.0 109.929 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.43 -45.18 92.1 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.249 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.16 -44.43 87.94 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.317 0.962 . . . . 0.0 111.419 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.19 -52.05 37.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -51.4 -39.85 58.07 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -64.9 -49.68 69.5 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.739 -1.124 . . . . 0.0 111.067 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.12 -38.88 92.1 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.374 1.443 . . . . 0.0 108.934 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.71 -46.63 87.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.866 1.212 . . . . 0.0 108.003 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.19 73.91 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.742 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -110.65 45.48 1.14 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.05 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.355 0.816 0 CA-C-O 122.397 1.094 . . . . 0.0 112.42 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -62.9 -50.97 68.76 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.012 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -60.58 -34.77 74.69 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.708 1.14 . . . . 0.0 110.03 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -64.51 -45.22 88.16 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.294 0.952 . . . . 0.0 109.214 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -63.44 -40.06 96.15 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 118.701 0.682 . . . . 0.0 110.915 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.52 -49.28 72.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.71 78.62 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.492 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ttt -57.16 -48.14 79.46 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.12 -52.2 66.74 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.249 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.6 -39.51 77.0 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 118.429 0.559 . . . . 0.0 110.883 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.01 -48.32 86.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -61.6 -30.61 70.8 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.859 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -53.75 -29.95 42.13 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.133 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -54.16 12.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.519 1.509 . . . . 0.0 108.919 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -66.32 -41.9 89.0 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.59 -45.22 91.4 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.493 1.042 . . . . 0.0 111.105 -173.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.26 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -53.84 -37.81 63.99 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.464 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -65.22 -52.1 56.78 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.801 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.0 -36.51 79.68 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 121.018 1.736 . . . . 0.0 109.402 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -47.27 82.16 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.35 -40.79 75.06 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -96.89 62.1 1.86 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.244 1.021 . . . . 0.0 109.086 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -63.53 -53.62 48.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.53 1.059 . . . . 0.0 109.423 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.94 -37.73 77.39 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.688 1.131 . . . . 0.0 109.733 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.28 -46.5 89.62 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.186 0.903 . . . . 0.0 108.975 175.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -58.99 -41.14 86.92 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 119.093 0.86 . . . . 0.0 109.935 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.64 -46.79 85.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.569 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.5 86.11 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.677 1.126 . . . . 0.0 109.74 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -48.78 69.56 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.87 -40.18 94.51 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.16 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -60.72 -40.98 94.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.856 0.753 . . . . 0.0 109.448 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.38 -54.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -64.47 -25.17 67.88 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.764 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -53.84 -38.08 64.29 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.519 1.054 . . . . 0.0 109.245 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -51.36 7.22 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.822 0.737 . . . . 0.0 109.622 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.223 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.77 -43.31 94.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.39 0.996 . . . . 0.0 111.476 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.62 -49.87 60.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -53.29 -38.85 63.49 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.607 176.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -64.84 -52.68 55.4 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.651 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.54 -40.25 90.87 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.403 1.456 . . . . 0.0 108.685 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.53 -46.17 91.06 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.29 0.95 . . . . 0.0 108.449 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -38.84 74.44 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -102.43 46.45 0.92 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.776 -0.631 . . . . 0.0 110.293 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.353 0.752 0 CA-C-O 121.863 0.839 . . . . 0.0 109.976 178.043 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tp . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.3 m -61.76 -50.66 71.48 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.536 1.062 . . . . 0.0 109.917 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.44 -38.8 81.65 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.635 1.107 . . . . 0.0 109.751 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.66 -44.33 90.74 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.795 0.725 . . . . 0.0 110.407 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -66.27 -42.25 88.73 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.689 0.677 . . . . 0.0 110.002 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.11 -47.47 92.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.1 89.35 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.685 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ttp -57.59 -48.51 79.18 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.18 -50.89 71.44 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.316 -0.85 . . . . 0.0 108.754 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.57 -45.62 57.28 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.842 0.747 . . . . 0.0 110.441 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.21 -49.41 81.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.85 -30.26 70.73 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.188 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.49 -31.21 63.84 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.861 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.37 -51.43 8.56 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.272 1.396 . . . . 0.0 109.033 174.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.5 -44.09 79.3 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.71 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -62.99 -42.05 99.73 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.341 0.973 . . . . 0.0 111.681 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.7 t -70.84 -48.58 56.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -53.1 -37.89 62.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.318 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -65.57 -51.72 57.64 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.832 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.81 -36.44 81.13 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.916 1.689 . . . . 0.0 109.577 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.21 -47.61 79.06 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.92 74.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.704 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -100.8 57.67 0.9 Allowed 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.353 0.737 0 CA-C-O 122.186 0.993 . . . . 0.0 111.185 176.071 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 CA--C 1.513 -0.458 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -65.46 -50.31 65.85 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.559 1.072 . . . . 0.0 108.747 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.61 -39.96 74.51 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.993 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -61.86 -47.99 82.53 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 118.999 0.818 . . . . 0.0 109.77 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -63.29 -44.64 94.47 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.512 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.53 -45.69 91.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -43.23 91.29 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.29 0.95 . . . . 0.0 110.089 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.5 79.32 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.62 -48.01 82.44 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.305 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.7 mt -56.56 -49.36 77.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -64.48 -25.0 67.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.158 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -52.3 -36.17 52.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 120.586 1.539 . . . . 0.0 109.256 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.87 -51.21 2.45 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.284 0.947 . . . . 0.0 110.169 175.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.82 -47.16 72.88 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.767 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.58 -44.39 93.33 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.503 1.047 . . . . 0.0 111.699 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.22 -45.99 81.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -56.01 -39.4 71.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.546 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -63.65 -47.14 82.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.729 -1.129 . . . . 0.0 111.427 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.01 -35.96 81.07 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.668 1.576 . . . . 0.0 109.519 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.46 -30.9 71.35 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.352 0.978 . . . . 0.0 109.767 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.32 67.04 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.472 1.033 . . . . 0.0 108.7 173.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.58 77.16 1.17 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.052 1.406 . . . . 0.0 107.56 177.225 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -62.45 -50.02 73.12 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.26 -43.55 92.47 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.216 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.43 -50.55 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.69 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.6 t -57.1 -43.31 82.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.109 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.01 -44.5 92.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.82 92.84 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.235 0.925 . . . . 0.0 110.103 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttp -60.26 -48.05 83.38 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.6 -37.59 76.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.115 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -51.19 63.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.04 -51.01 66.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -61.83 -33.01 73.38 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.417 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -48.53 -34.52 11.47 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.122 0.873 . . . . 0.0 110.041 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -41.02 -53.65 2.95 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.656 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.87 -37.09 85.48 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.352 0.978 . . . . 0.0 110.2 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -64.9 -44.61 89.05 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.91 0.777 . . . . 0.0 110.418 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.56 -50.09 53.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -52.35 -39.24 60.47 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.509 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -65.24 -48.15 74.3 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.431 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.82 -35.48 80.14 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.776 1.625 . . . . 0.0 110.035 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.93 -37.58 84.59 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.16 0.891 . . . . 0.0 108.871 177.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.67 92.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.028 0.831 . . . . 0.0 109.191 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.32 71.61 0.75 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--N 1.353 0.733 0 CA-C-O 122.415 1.102 . . . . 0.0 108.484 175.829 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.7 m -67.29 -50.66 59.39 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.3 -40.46 71.12 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -64.71 -45.14 87.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.156 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -66.61 -38.62 87.36 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.1 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.18 -46.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.657 0.662 . . . . 0.0 109.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -46.1 88.49 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.97 -39.62 90.3 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.866 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.4 -40.46 97.27 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.145 0.884 . . . . 0.0 109.866 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.67 -51.71 66.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -64.31 -26.37 68.46 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.388 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -53.49 -40.12 65.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.532 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -51.14 5.48 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.481 0.582 . . . . 0.0 109.697 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.37 -43.79 93.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.427 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.87 -45.48 93.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 111.782 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.39 -47.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.6 -38.18 63.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.613 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -65.44 -49.4 69.28 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.045 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.27 -38.6 91.62 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.44 1.473 . . . . 0.0 109.163 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.31 -47.03 80.98 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.78 -41.88 74.72 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.328 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -103.27 55.07 0.75 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 tptt . . . . . 0 C--N 1.355 0.822 0 CA-C-O 122.45 1.119 . . . . 0.0 111.533 174.2 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -54.75 -50.5 68.25 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 109.987 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.94 -35.96 79.96 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.448 1.022 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.38 -48.71 74.41 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.511 1.05 . . . . 0.0 109.902 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m -64.01 -42.95 96.97 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.509 0.595 . . . . 0.0 110.329 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.16 -47.81 90.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.49 94.38 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.725 0.693 . . . . 0.0 110.331 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 ttp -59.66 -47.83 84.08 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -59.74 -47.36 85.98 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.912 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -54.2 -42.29 69.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.534 0.606 . . . . 0.0 109.849 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.45 -50.27 76.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -59.89 -29.69 68.5 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.264 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.96 -32.84 61.8 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-O 117.382 -1.295 . . . . 0.0 109.991 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.21 -52.06 5.79 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.948 1.249 . . . . 0.0 109.338 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.31 -44.9 78.05 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.517 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.5 -42.15 95.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.369 0.986 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.55 -49.69 34.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -51.25 -39.24 56.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.479 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -66.6 -47.26 73.24 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.747 -1.121 . . . . 0.0 111.405 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.27 -41.02 97.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.632 1.56 . . . . 0.0 108.298 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.75 -44.79 96.22 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.87 77.78 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.277 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -101.95 50.56 0.84 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.347 0.521 . . . . 0.0 110.561 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.356 0.852 0 CA-C-O 122.797 1.284 . . . . 0.0 109.736 174.734 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -64.48 -51.22 64.09 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.688 1.131 . . . . 0.0 108.535 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -56.59 -39.79 74.15 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.914 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.39 -45.77 91.63 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.511 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t -64.37 -42.2 96.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.272 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.21 -46.71 95.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.78 85.5 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.607 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -49.52 77.12 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.75 -40.36 75.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.463 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -63.87 -42.07 97.61 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.384 0.993 . . . . 0.0 109.225 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.95 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.57 -34.09 74.98 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.015 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -54.73 -34.78 62.93 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.213 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.33 -50.06 12.38 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.023 0.829 . . . . 0.0 109.213 174.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.53 -45.41 93.09 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.051 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.17 -43.29 92.12 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.901 0.773 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.45 -46.11 72.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -54.26 -37.06 64.28 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.705 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -65.59 -49.5 68.59 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.825 -1.083 . . . . 0.0 111.122 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.53 -37.26 86.93 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.37 1.441 . . . . 0.0 109.519 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.79 -46.64 81.23 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.22 73.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.011 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -100.96 56.52 0.86 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 C--N 1.354 0.797 0 CA-C-O 122.38 1.086 . . . . 0.0 112.26 174.769 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.4 t80 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.0 170.4 16.66 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 120.044 1.293 . . . . 0.0 112.33 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.27 70.75 8.24 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 -75.35 0.61 Allowed Glycine 0 C--N 1.355 1.622 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -102.78 24.59 10.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 117.823 0.811 . . . . 0.0 110.011 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.92 -41.66 70.9 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.29 0.95 . . . . 0.0 108.492 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp -47.35 -33.27 2.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.433 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.291 0.95 . . . . 0.0 108.852 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -58.9 -35.52 73.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.347 0.976 . . . . 0.0 109.947 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 90.6 t80 -62.51 -45.61 92.2 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.05 0.841 . . . . 0.0 109.816 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -63.56 -44.78 93.14 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.773 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.77 -41.74 93.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.16 82.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.091 0.86 . . . . 0.0 109.081 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.423 ' SD ' ' CE2' ' A' ' 10' ' ' TYR . 86.8 mtp -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.09 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.625 1.102 . . . . 0.0 108.616 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.53 -43.26 84.2 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.824 0.738 . . . . 0.0 110.761 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.96 -53.8 33.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -62.53 -30.85 71.6 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.219 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -51.68 -33.92 36.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.544 -1.217 . . . . 0.0 109.803 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -50.6 10.34 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.055 1.298 . . . . 0.0 109.198 174.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -46.08 85.85 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.622 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -62.82 -41.6 99.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.377 0.99 . . . . 0.0 111.877 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.27 -46.79 76.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.5 -38.39 71.71 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.633 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -63.83 -50.68 67.93 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.717 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.27 -44.55 96.26 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 120.006 1.275 . . . . 0.0 108.132 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.56 -45.41 89.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.682 1.128 . . . . 0.0 108.823 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.88 81.22 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -108.4 45.69 1.01 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--N 1.356 0.86 0 CA-C-O 122.857 1.313 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.95 78.74 5.38 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.984 1.265 . . . . 0.0 109.652 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -88.22 63.84 7.38 Favored 'General case' 0 C--N 1.355 0.848 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.74 -71.04 1.05 Allowed Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -111.83 32.5 5.42 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 117.765 0.783 . . . . 0.0 109.794 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -80.15 -32.8 38.84 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.9 -40.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -54.02 -51.19 64.77 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.259 0.936 . . . . 0.0 109.907 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.74 -36.55 81.32 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.54 1.064 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.29 -45.9 91.21 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.276 0.944 . . . . 0.0 109.227 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 t -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.1 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.2 -48.77 77.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.3 77.94 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.765 0.712 . . . . 0.0 109.488 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 14' ' ' MET . 1.2 tmt? -56.72 -50.01 73.47 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.03 -38.42 76.21 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.51 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.31 -45.85 75.27 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.375 0.989 . . . . 0.0 108.736 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.0 mm -57.56 -48.77 82.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -65.49 -32.1 73.53 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.061 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -55.06 -37.53 66.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.953 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.75 -52.77 8.06 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.119 0.872 . . . . 0.0 109.242 175.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.5 -43.47 98.73 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.471 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.27 -42.61 91.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.123 0.874 . . . . 0.0 111.21 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.5 -46.73 75.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -53.52 -38.84 64.13 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.471 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -63.21 -49.46 74.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.826 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.7 -43.23 94.15 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.621 1.555 . . . . 0.0 108.552 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.06 -45.82 86.44 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.818 1.19 . . . . 0.0 108.348 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.73 87.67 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.194 -0.907 . . . . 0.0 109.896 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -109.38 46.1 1.02 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.448 0.567 . . . . 0.0 111.087 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttp . . . . . 0 C--N 1.356 0.878 0 CA-C-O 121.854 0.835 . . . . 0.0 109.724 175.226 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.2 p90 . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.55 164.17 25.62 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.926 2.148 . . . . 0.0 110.221 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -95.82 73.01 3.07 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.5 -79.25 0.21 Allowed Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -87.16 2.44 49.92 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.217 -1.373 . . . . 0.0 112.384 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.33 -44.23 95.69 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.373 1.897 . . . . 0.0 108.059 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tp -46.22 -36.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.286 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -61.57 -51.63 67.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.919 1.236 . . . . 0.0 109.628 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.82 -37.9 77.44 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.448 1.022 . . . . 0.0 109.78 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -66.13 -45.96 79.24 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.576 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -62.35 -40.49 96.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 118.486 0.584 . . . . 0.0 110.64 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.69 -46.71 93.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.61 86.65 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.697 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.44 -44.74 95.51 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.291 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.41 -54.55 42.1 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.543 -0.863 . . . . 0.0 108.702 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.71 -40.44 66.06 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.422 0.555 . . . . 0.0 110.848 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.33 -50.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.06 -27.87 69.2 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.652 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -54.39 -31.08 54.12 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 117.579 -1.2 . . . . 0.0 109.908 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -52.82 8.79 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.078 1.308 . . . . 0.0 108.992 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.06 -42.9 75.65 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.957 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -63.2 -42.32 99.29 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.279 0.945 . . . . 0.0 110.96 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.68 -45.18 75.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -54.15 -39.09 66.2 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.27 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.66 -47.75 82.31 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.306 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.86 -36.85 84.58 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.963 1.711 . . . . 0.0 109.391 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.8 -32.61 74.24 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.27 0.941 . . . . 0.0 109.58 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.1 42.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.634 1.106 . . . . 0.0 108.42 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -96.31 68.53 2.61 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.506 -0.739 0 CA-C-O 122.543 1.163 . . . . 0.0 109.103 -176.309 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.04 93.73 7.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.02 76.39 1.2 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.91 -82.48 0.6 Allowed Glycine 0 C--N 1.356 1.663 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -80.5 -11.12 59.71 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 117.018 -1.468 . . . . 0.0 111.854 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -49.31 -41.58 38.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.075 1.761 . . . . 0.0 110.099 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tp -49.32 -35.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 119.296 0.953 . . . . 0.0 111.246 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -66.18 -56.39 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.293 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.681 1.128 . . . . 0.0 110.28 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.7 -46.75 86.68 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.804 0.729 . . . . 0.0 109.365 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 t -66.53 -39.47 88.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.628 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.2 -49.36 73.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.96 84.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.154 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.0 ttp -55.77 -45.94 78.0 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.81 -50.0 75.51 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.754 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -55.31 -42.72 74.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.123 0.874 . . . . 0.0 110.44 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.73 -48.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -62.4 -31.32 71.98 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.87 -31.1 64.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.031 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -53.7 11.6 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 108.715 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.41 -42.56 83.05 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.875 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.23 -42.78 99.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.324 0.966 . . . . 0.0 110.484 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.67 -45.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -54.37 -39.37 67.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.235 -0.986 . . . . 0.0 109.376 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -63.25 -49.29 74.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.596 1.544 . . . . 0.0 109.426 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.49 -46.79 81.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.584 1.084 . . . . 0.0 108.549 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.38 76.25 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -93.93 70.6 4.0 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--N 1.353 0.759 0 CA-C-O 121.974 0.893 . . . . 0.0 109.504 -174.503 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.1 167.08 22.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.192 0.906 . . . . 0.0 109.473 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -82.86 73.39 9.9 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.1 -69.92 1.23 Allowed Glycine 0 C--N 1.355 1.609 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -111.14 34.43 4.06 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.109 0.954 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -45.75 10.16 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm -49.07 -39.95 12.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 118.106 -0.95 . . . . 0.0 109.046 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -59.03 -57.79 11.54 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.899 1.227 . . . . 0.0 110.793 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.05 -38.57 91.55 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.0 110.84 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.46 -44.95 92.98 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 118.977 0.808 . . . . 0.0 110.242 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -64.54 -41.97 96.02 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.52 -43.97 98.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.28 91.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.115 0.87 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.5 tmm? -57.95 -50.45 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.64 -46.55 80.95 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.598 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.72 -45.31 85.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.8 0.727 . . . . 0.0 109.64 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -59.46 -48.94 85.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.85 -32.78 74.08 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.276 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -50.05 -31.02 12.02 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.877 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.65 -54.85 3.13 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.688 1.131 . . . . 0.0 110.365 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 p-10 -67.91 -36.69 80.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.316 0.962 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 55.7 t80 -69.55 -42.05 75.09 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.394 0.997 . . . . 0.0 110.879 -175.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.76 -46.38 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -55.8 -37.92 69.27 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.567 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.76 -49.89 68.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.026 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.81 -38.48 91.24 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.302 1.41 . . . . 0.0 109.31 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.28 -46.68 85.67 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.413 1.006 . . . . 0.0 108.368 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.98 76.95 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.526 -0.75 . . . . 0.0 109.27 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -102.3 53.69 0.8 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptt . . . . . 0 C--N 1.356 0.853 0 CA-C-O 122.461 1.124 . . . . 0.0 111.718 174.376 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.0 p90 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.82 9.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.95 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.61 49.56 2.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -67.1 2.16 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 m -101.42 12.87 36.6 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-O 118.67 -0.681 . . . . 0.0 109.959 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -72.0 -49.33 37.99 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.504 1.502 . . . . 0.0 108.741 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.11 -36.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 t -52.31 -49.43 64.23 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.543 1.065 . . . . 0.0 109.881 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -60.15 -40.07 88.58 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.509 1.05 . . . . 0.0 110.131 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.4 -49.11 76.81 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.188 0.904 . . . . 0.0 109.783 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -57.31 -42.6 82.13 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.107 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.09 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.54 82.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.325 0.966 . . . . 0.0 109.686 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.2 mtp -58.32 -48.16 81.43 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 119.614 -0.835 . . . . 0.0 108.833 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.83 -47.41 80.38 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.596 -0.841 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.21 -42.39 86.1 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.396 0.544 . . . . 0.0 109.745 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.19 -48.77 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.59 -33.07 71.0 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.012 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -54.38 -30.93 53.53 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.301 -1.333 . . . . 0.0 110.291 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -54.03 12.33 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.709 1.595 . . . . 0.0 108.948 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.48 -46.21 70.3 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.137 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.08 -39.59 92.95 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.737 1.153 . . . . 0.0 110.857 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.7 -46.4 89.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -56.02 -39.23 71.62 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 119.25 -0.98 . . . . 0.0 109.577 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.54 -53.29 54.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.19 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.58 -37.8 85.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.947 1.249 . . . . 0.0 110.275 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.36 -47.79 77.97 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.5 81.59 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.532 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -107.33 56.56 0.64 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.505 0.593 . . . . 0.0 110.701 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.721 0.772 . . . . 0.0 109.568 171.497 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.109 -0.472 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.02 64.56 1.81 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.861 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.55 78.88 0.8 Allowed 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.93 -64.33 0.02 OUTLIER Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 m -107.24 44.87 1.03 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -92.16 -46.46 7.74 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.587 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.3 mm -53.26 -39.52 35.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -54.36 -52.92 60.1 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.352 0.978 . . . . 0.0 110.013 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.63 -39.4 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.938 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -59.72 -49.41 77.86 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.398 0.999 . . . . 0.0 109.522 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -61.07 -42.75 99.08 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 118.768 0.713 . . . . 0.0 110.504 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.44 -49.53 80.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.61 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.396 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -61.67 -47.26 86.15 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.81 -40.92 90.02 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.087 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.599 1.09 . . . . 0.0 110.194 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.8 -52.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -63.48 -45.62 89.92 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.237 -171.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -45.34 -27.26 0.64 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.408 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.8 -52.45 3.98 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.134 1.333 . . . . 0.0 109.44 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.08 -36.97 86.0 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.557 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -67.89 -43.2 79.87 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.921 0.782 . . . . 0.0 110.982 -176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.31 -46.15 66.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -54.16 -38.73 65.85 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.181 0.901 . . . . 0.0 109.406 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -64.12 -44.72 91.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.223 -1.37 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.69 -35.86 77.74 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.067 1.758 . . . . 0.0 109.41 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.46 -27.7 68.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.74 -47.5 38.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.694 1.134 . . . . 0.0 108.555 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -103.29 74.43 1.28 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp . . . . . 0 C--N 1.353 0.738 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.22 170.38 0.08 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 172.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.86 64.96 1.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.33 -82.74 0.24 Allowed Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -77.31 -5.83 50.94 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.577 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -60.58 -34.33 74.03 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.773 1.624 . . . . 0.0 109.485 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -53.62 -42.17 49.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -57.34 -48.71 78.3 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.866 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -60.07 -36.42 77.32 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.686 1.13 . . . . 0.0 110.156 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.08 -52.17 64.97 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.56 1.073 . . . . 0.0 109.062 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.4 t -59.38 -39.36 83.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.727 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.17 -48.32 78.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.44 88.04 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 109.949 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.0 ttp -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.71 -35.57 78.41 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.11 -47.24 71.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.49 -50.94 75.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -65.34 -30.64 71.5 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.138 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -48.28 -33.77 9.3 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.411 1.005 . . . . 0.0 110.062 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -43.29 -55.02 4.25 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.236 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -63.74 -37.28 86.77 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.944 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.5 -42.04 96.07 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 118.764 0.711 . . . . 0.0 110.541 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.42 -51.32 34.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -51.28 -39.63 57.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.804 -0.759 . . . . 0.0 109.56 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -66.37 -52.41 47.21 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.01 -34.32 77.32 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.876 1.671 . . . . 0.0 109.945 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.11 -47.08 81.39 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.22 91.66 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.613 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -92.8 74.64 4.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--N 1.355 0.844 0 CA-C-O 122.638 1.209 . . . . 0.0 108.347 -178.46 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.83 61.89 0.72 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.26 84.22 0.25 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.91 -58.89 0.07 OUTLIER Glycine 0 C--N 1.352 1.458 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -110.06 36.22 3.1 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -83.56 -30.1 27.3 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.084 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.2 mt -56.4 -45.6 81.72 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.8 m -55.28 -49.44 72.09 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.451 -0.899 . . . . 0.0 109.361 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -41.97 87.18 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.169 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -62.7 -46.6 87.38 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.602 0.637 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -64.0 -42.76 97.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.413 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.6 mm -63.37 -46.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.77 93.22 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.316 0.962 . . . . 0.0 109.979 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 tpt -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.96 -44.55 97.16 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.573 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -59.9 -41.6 92.0 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 118.876 0.762 . . . . 0.0 109.54 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.94 -49.78 82.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -62.77 -32.89 74.13 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.414 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -51.61 -28.01 12.93 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.296 -1.335 . . . . 0.0 110.251 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.61 -54.71 7.28 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.224 1.375 . . . . 0.0 109.577 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.76 -33.22 73.53 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.911 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -69.74 -45.64 67.69 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.23 0.923 . . . . 0.0 109.441 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.43 -48.5 80.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -54.32 -40.07 67.64 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.531 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -63.07 -49.33 74.92 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.887 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.21 -41.31 97.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.496 1.498 . . . . 0.0 108.448 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.5 -46.36 89.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.857 1.208 . . . . 0.0 108.588 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.42 80.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.312 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -104.56 62.02 0.72 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 C--N 1.357 0.897 0 CA-C-O 122.287 1.042 . . . . 0.0 110.761 179.61 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.6 113.94 7.36 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.43 74.58 4.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.41 -64.18 0.03 OUTLIER Glycine 0 C--N 1.354 1.529 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -176.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.4 p -99.17 28.86 4.19 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 117.965 0.882 . . . . 0.0 110.088 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.59 -28.74 62.97 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.091 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -42.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 -51.26 63.97 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 121.375 -0.828 . . . . 0.0 108.787 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -57.16 -35.16 69.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.599 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.85 -49.71 60.64 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.401 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 m -61.5 -41.96 98.07 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.111 0.869 . . . . 0.0 109.435 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.04 -47.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.7 92.84 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.103 0.865 . . . . 0.0 110.627 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 ttp -60.61 -50.23 74.34 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.46 -37.48 72.93 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -64.78 -40.96 96.12 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.949 0.795 . . . . 0.0 109.278 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -66.6 -52.92 40.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.79 -29.18 69.29 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.756 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -46.61 -37.31 7.98 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.01 0.823 . . . . 0.0 109.646 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.906 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.84 -36.58 84.37 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.636 1.107 . . . . 0.0 110.379 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.25 -43.79 81.02 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.769 0.713 . . . . 0.0 110.218 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.8 -47.67 68.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -54.17 -40.85 67.88 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.373 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -63.77 -50.44 69.02 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.919 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.28 -37.03 86.06 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.279 1.399 . . . . 0.0 109.372 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.74 -46.91 85.87 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.954 1.252 . . . . 0.0 108.27 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.76 83.16 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.194 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.65 67.52 1.28 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 tttp . . . . . 0 C--N 1.353 0.731 0 CA-C-O 122.613 1.196 . . . . 0.0 109.291 -176.317 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 70.4 t80 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 117.657 -1.163 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.97 60.6 3.7 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.584 1.083 . . . . 0.0 110.233 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.19 79.64 0.7 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 -66.37 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -106.71 39.71 1.79 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.88 -37.93 33.73 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.172 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -45.52 -38.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.314 0.961 . . . . 0.0 111.04 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 m -64.03 -49.59 71.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.3 0.955 . . . . 0.0 108.84 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.72 -40.04 78.67 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.196 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -64.66 -46.76 81.1 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.088 0.858 . . . . 0.0 110.141 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -64.73 -42.23 95.37 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 118.687 0.676 . . . . 0.0 109.946 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.49 -46.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.94 96.96 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.816 0.734 . . . . 0.0 110.09 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.02 -45.61 92.24 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.79 -46.93 88.57 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.005 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -54.67 -42.59 71.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.619 0.645 . . . . 0.0 109.943 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.85 -50.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -60.28 -33.09 71.85 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.785 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -46.22 -34.76 4.61 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.219 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.83 -51.84 5.28 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.61 1.095 . . . . 0.0 110.227 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.56 -39.91 92.24 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.475 1.034 . . . . 0.0 110.468 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.93 -44.26 85.64 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 111.071 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.21 -48.08 70.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -56.61 -40.79 75.93 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.594 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -63.99 -49.97 70.38 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.838 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.12 -43.78 97.44 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.993 1.27 . . . . 0.0 108.225 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.04 -45.54 86.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.844 1.202 . . . . 0.0 108.379 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.42 88.88 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.0 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -112.19 46.78 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.586 0.63 . . . . 0.0 110.968 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--N 1.355 0.825 0 CA-C-O 122.814 1.293 . . . . 0.0 109.75 175.437 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.65 166.51 14.05 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.6 79.43 3.27 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.67 -60.27 0.07 OUTLIER Glycine 0 C--N 1.352 1.442 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.3 m -102.49 46.33 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -92.35 -47.94 6.92 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -38.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -55.22 -53.13 59.94 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.26 1.391 . . . . 0.0 109.273 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.45 -37.57 73.04 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.97 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.21 -46.67 87.86 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.394 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -63.58 -41.99 98.32 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.978 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.61 -46.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.81 85.35 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.518 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -45.75 92.18 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.53 -39.14 89.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.352 -0.833 . . . . 0.0 110.229 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.1 -44.66 79.4 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.21 -50.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -66.87 -28.95 68.75 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.623 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -51.0 -38.32 50.53 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.91 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.15 -51.98 5.72 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.629 0.649 . . . . 0.0 109.929 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.43 -45.18 92.1 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.249 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.16 -44.43 87.94 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.317 0.962 . . . . 0.0 111.419 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.19 -52.05 37.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -51.4 -39.85 58.07 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -64.9 -49.68 69.5 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.739 -1.124 . . . . 0.0 111.067 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.12 -38.88 92.1 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.374 1.443 . . . . 0.0 108.934 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.71 -46.63 87.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.866 1.212 . . . . 0.0 108.003 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.19 73.91 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.742 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -110.65 45.48 1.14 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.05 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.355 0.816 0 CA-C-O 122.397 1.094 . . . . 0.0 112.42 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.33 151.26 23.9 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.723 1.147 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.81 65.56 8.43 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.53 -87.16 1.28 Allowed Glycine 0 C--N 1.356 1.651 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.8 p -68.92 -16.53 63.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -39.75 -46.39 1.9 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.427 1.467 . . . . 0.0 112.132 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp -48.26 -37.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 119.195 0.907 . . . . 0.0 110.714 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -62.9 -50.97 68.76 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.012 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -60.58 -34.77 74.69 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.708 1.14 . . . . 0.0 110.03 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -64.51 -45.22 88.16 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.294 0.952 . . . . 0.0 109.214 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -63.44 -40.06 96.15 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 118.701 0.682 . . . . 0.0 110.915 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.52 -49.28 72.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.71 78.62 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.492 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ttt -57.16 -48.14 79.46 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.12 -52.2 66.74 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.249 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.6 -39.51 77.0 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 118.429 0.559 . . . . 0.0 110.883 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.01 -48.32 86.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -61.6 -30.61 70.8 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.859 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -53.75 -29.95 42.13 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.133 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -54.16 12.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.519 1.509 . . . . 0.0 108.919 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -66.32 -41.9 89.0 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.59 -45.22 91.4 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.493 1.042 . . . . 0.0 111.105 -173.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.26 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -53.84 -37.81 63.99 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.464 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -65.22 -52.1 56.78 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.801 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.0 -36.51 79.68 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 121.018 1.736 . . . . 0.0 109.402 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -47.27 82.16 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.35 -40.79 75.06 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -96.89 62.1 1.86 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.244 1.021 . . . . 0.0 109.086 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.43 172.88 6.69 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.646 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.22 74.45 0.34 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.581 0.628 . . . . 0.0 109.459 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.82 -72.22 0.96 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -109.84 31.28 5.95 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 117.766 0.783 . . . . 0.0 109.508 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -47.85 16.09 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -44.73 -35.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.126 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -63.53 -53.62 48.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.53 1.059 . . . . 0.0 109.423 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.94 -37.73 77.39 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.688 1.131 . . . . 0.0 109.733 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.28 -46.5 89.62 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.186 0.903 . . . . 0.0 108.975 175.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -58.99 -41.14 86.92 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 119.093 0.86 . . . . 0.0 109.935 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.64 -46.79 85.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.569 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.5 86.11 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.677 1.126 . . . . 0.0 109.74 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -48.78 69.56 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.87 -40.18 94.51 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.16 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -60.72 -40.98 94.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.856 0.753 . . . . 0.0 109.448 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.38 -54.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -64.47 -25.17 67.88 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.764 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -53.84 -38.08 64.29 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.519 1.054 . . . . 0.0 109.245 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -51.36 7.22 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.822 0.737 . . . . 0.0 109.622 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.223 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.77 -43.31 94.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.39 0.996 . . . . 0.0 111.476 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.62 -49.87 60.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -53.29 -38.85 63.49 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.607 176.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -64.84 -52.68 55.4 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.651 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.54 -40.25 90.87 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.403 1.456 . . . . 0.0 108.685 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.53 -46.17 91.06 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.29 0.95 . . . . 0.0 108.449 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -38.84 74.44 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -102.43 46.45 0.92 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.776 -0.631 . . . . 0.0 110.293 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.353 0.752 0 CA-C-O 121.863 0.839 . . . . 0.0 109.976 178.043 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.16 56.7 7.51 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.734 0.647 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -73.71 81.54 1.57 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.53 -60.53 0.03 OUTLIER Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -111.31 38.63 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -84.75 -47.86 10.0 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tp -46.89 -35.81 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.82 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.3 m -61.76 -50.66 71.48 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.536 1.062 . . . . 0.0 109.917 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.44 -38.8 81.65 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.635 1.107 . . . . 0.0 109.751 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.66 -44.33 90.74 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.795 0.725 . . . . 0.0 110.407 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -66.27 -42.25 88.73 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.689 0.677 . . . . 0.0 110.002 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.11 -47.47 92.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.1 89.35 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.685 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ttp -57.59 -48.51 79.18 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.18 -50.89 71.44 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.316 -0.85 . . . . 0.0 108.754 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.57 -45.62 57.28 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.842 0.747 . . . . 0.0 110.441 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.21 -49.41 81.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.85 -30.26 70.73 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.188 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.49 -31.21 63.84 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.861 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.37 -51.43 8.56 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.272 1.396 . . . . 0.0 109.033 174.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.5 -44.09 79.3 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.71 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -62.99 -42.05 99.73 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.341 0.973 . . . . 0.0 111.681 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.7 t -70.84 -48.58 56.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -53.1 -37.89 62.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.318 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -65.57 -51.72 57.64 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.832 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.81 -36.44 81.13 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.916 1.689 . . . . 0.0 109.577 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.21 -47.61 79.06 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.92 74.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.704 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -100.8 57.67 0.9 Allowed 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.353 0.737 0 CA-C-O 122.186 0.993 . . . . 0.0 111.185 176.071 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.77 59.48 0.86 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.58 74.13 8.58 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.62 -69.38 0.01 OUTLIER Glycine 0 C--N 1.354 1.552 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -105.3 43.32 1.13 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 173.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.42 -42.29 36.71 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.882 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -45.01 -38.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 119.111 0.869 . . . . 0.0 111.622 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -65.46 -50.31 65.85 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.559 1.072 . . . . 0.0 108.747 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.61 -39.96 74.51 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.993 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -61.86 -47.99 82.53 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 118.999 0.818 . . . . 0.0 109.77 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -63.29 -44.64 94.47 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.512 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.53 -45.69 91.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -43.23 91.29 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.29 0.95 . . . . 0.0 110.089 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.5 79.32 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.62 -48.01 82.44 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.305 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.7 mt -56.56 -49.36 77.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -64.48 -25.0 67.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.158 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -52.3 -36.17 52.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 120.586 1.539 . . . . 0.0 109.256 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.87 -51.21 2.45 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.284 0.947 . . . . 0.0 110.169 175.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.82 -47.16 72.88 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.767 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.58 -44.39 93.33 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.503 1.047 . . . . 0.0 111.699 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.22 -45.99 81.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -56.01 -39.4 71.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.546 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -63.65 -47.14 82.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.729 -1.129 . . . . 0.0 111.427 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.01 -35.96 81.07 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.668 1.576 . . . . 0.0 109.519 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.46 -30.9 71.35 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.352 0.978 . . . . 0.0 109.767 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.32 67.04 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.472 1.033 . . . . 0.0 108.7 173.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.58 77.16 1.17 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.052 1.406 . . . . 0.0 107.56 177.225 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.89 171.29 14.29 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.034 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.22 65.12 3.51 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.9 -77.4 0.39 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-O 118.366 -1.241 . . . . 0.0 110.195 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -104.86 34.11 3.32 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.05 0.925 . . . . 0.0 109.328 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.24 -11.4 54.94 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 116.664 -1.636 . . . . 0.0 110.491 172.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm -66.92 -46.26 85.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 121.708 2.049 . . . . 0.0 106.861 174.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -62.45 -50.02 73.12 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.26 -43.55 92.47 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.216 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.43 -50.55 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.69 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.6 t -57.1 -43.31 82.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.109 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.01 -44.5 92.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.82 92.84 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.235 0.925 . . . . 0.0 110.103 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttp -60.26 -48.05 83.38 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.6 -37.59 76.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.115 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -51.19 63.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.04 -51.01 66.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -61.83 -33.01 73.38 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.417 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -48.53 -34.52 11.47 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.122 0.873 . . . . 0.0 110.041 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -41.02 -53.65 2.95 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.656 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.87 -37.09 85.48 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.352 0.978 . . . . 0.0 110.2 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -64.9 -44.61 89.05 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.91 0.777 . . . . 0.0 110.418 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.56 -50.09 53.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -52.35 -39.24 60.47 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.509 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -65.24 -48.15 74.3 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.431 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.82 -35.48 80.14 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.776 1.625 . . . . 0.0 110.035 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.93 -37.58 84.59 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.16 0.891 . . . . 0.0 108.871 177.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.67 92.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.028 0.831 . . . . 0.0 109.191 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.32 71.61 0.75 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--N 1.353 0.733 0 CA-C-O 122.415 1.102 . . . . 0.0 108.484 175.829 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 117.352 -1.309 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.15 179.44 0.06 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.366 0.985 . . . . 0.0 112.424 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -137.9 53.85 1.82 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.05 -71.25 0.88 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-O 118.475 -1.181 . . . . 0.0 110.861 -174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.0 m -106.34 31.44 5.17 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 117.953 0.876 . . . . 0.0 108.692 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -74.9 -39.56 61.38 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.166 -0.921 . . . . 0.0 108.755 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tp -48.34 -36.46 6.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 118.987 0.812 . . . . 0.0 111.256 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.7 m -67.29 -50.66 59.39 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.3 -40.46 71.12 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -64.71 -45.14 87.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.156 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -66.61 -38.62 87.36 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.1 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.18 -46.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.657 0.662 . . . . 0.0 109.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -46.1 88.49 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.97 -39.62 90.3 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.866 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.4 -40.46 97.27 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.145 0.884 . . . . 0.0 109.866 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.67 -51.71 66.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -64.31 -26.37 68.46 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.388 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -53.49 -40.12 65.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.532 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -51.14 5.48 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.481 0.582 . . . . 0.0 109.697 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.37 -43.79 93.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.427 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.87 -45.48 93.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 111.782 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.39 -47.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.6 -38.18 63.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.613 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -65.44 -49.4 69.28 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.045 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.27 -38.6 91.62 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.44 1.473 . . . . 0.0 109.163 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.31 -47.03 80.98 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.78 -41.88 74.72 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.328 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -103.27 55.07 0.75 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 tptt . . . . . 0 C--N 1.355 0.822 0 CA-C-O 122.45 1.119 . . . . 0.0 111.533 174.2 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.6 p90 . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.31 170.76 18.73 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.182 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.89 76.83 5.38 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.93 -72.17 0.9 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -105.33 29.77 6.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.859 0.83 . . . . 0.0 109.813 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -34.9 29.54 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.56 -41.18 36.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -54.75 -50.5 68.25 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 109.987 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.94 -35.96 79.96 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.448 1.022 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.38 -48.71 74.41 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.511 1.05 . . . . 0.0 109.902 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m -64.01 -42.95 96.97 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.509 0.595 . . . . 0.0 110.329 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.16 -47.81 90.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.49 94.38 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.725 0.693 . . . . 0.0 110.331 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 ttp -59.66 -47.83 84.08 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -59.74 -47.36 85.98 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.912 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -54.2 -42.29 69.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.534 0.606 . . . . 0.0 109.849 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.45 -50.27 76.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -59.89 -29.69 68.5 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.264 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.96 -32.84 61.8 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-O 117.382 -1.295 . . . . 0.0 109.991 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.21 -52.06 5.79 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.948 1.249 . . . . 0.0 109.338 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.31 -44.9 78.05 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.517 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.5 -42.15 95.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.369 0.986 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.55 -49.69 34.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -51.25 -39.24 56.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.479 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -66.6 -47.26 73.24 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.747 -1.121 . . . . 0.0 111.405 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.27 -41.02 97.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.632 1.56 . . . . 0.0 108.298 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.75 -44.79 96.22 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.87 77.78 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.277 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -101.95 50.56 0.84 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.347 0.521 . . . . 0.0 110.561 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.356 0.852 0 CA-C-O 122.797 1.284 . . . . 0.0 109.736 174.734 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.28 62.33 0.6 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.72 81.96 0.44 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -176.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.73 -65.14 0.03 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -103.63 49.94 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.59 -48.43 6.85 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -43.97 -39.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.961 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -64.48 -51.22 64.09 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.688 1.131 . . . . 0.0 108.535 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -56.59 -39.79 74.15 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.914 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.39 -45.77 91.63 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.511 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t -64.37 -42.2 96.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.272 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.21 -46.71 95.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.78 85.5 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.607 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -49.52 77.12 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.75 -40.36 75.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.463 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -63.87 -42.07 97.61 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.384 0.993 . . . . 0.0 109.225 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.95 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.57 -34.09 74.98 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.015 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -54.73 -34.78 62.93 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.213 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.33 -50.06 12.38 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.023 0.829 . . . . 0.0 109.213 174.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.53 -45.41 93.09 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.051 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.17 -43.29 92.12 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.901 0.773 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.45 -46.11 72.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -54.26 -37.06 64.28 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.705 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -65.59 -49.5 68.59 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.825 -1.083 . . . . 0.0 111.122 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.53 -37.26 86.93 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.37 1.441 . . . . 0.0 109.519 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.79 -46.64 81.23 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.22 73.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.011 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -100.96 56.52 0.86 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 C--N 1.354 0.797 0 CA-C-O 122.38 1.086 . . . . 0.0 112.26 174.769 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.291 0.95 . . . . 0.0 108.852 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -58.9 -35.52 73.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.347 0.976 . . . . 0.0 109.947 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 90.6 t80 -62.51 -45.61 92.2 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.05 0.841 . . . . 0.0 109.816 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -63.56 -44.78 93.14 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.773 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.77 -41.74 93.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.16 82.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.091 0.86 . . . . 0.0 109.081 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.423 ' SD ' ' CE2' ' A' ' 10' ' ' TYR . 86.8 mtp -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.09 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.625 1.102 . . . . 0.0 108.616 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.53 -43.26 84.2 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.824 0.738 . . . . 0.0 110.761 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.96 -53.8 33.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -62.53 -30.85 71.6 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.219 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -51.68 -33.92 36.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.544 -1.217 . . . . 0.0 109.803 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -50.6 10.34 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.055 1.298 . . . . 0.0 109.198 174.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -46.08 85.85 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.622 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -62.82 -41.6 99.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.377 0.99 . . . . 0.0 111.877 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.27 -46.79 76.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.5 -38.39 71.71 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.633 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -63.83 -50.68 67.93 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.717 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.27 -44.55 96.26 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 120.006 1.275 . . . . 0.0 108.132 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.56 -45.41 89.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.682 1.128 . . . . 0.0 108.823 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.88 81.22 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -108.4 45.69 1.01 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--N 1.356 0.86 0 CA-C-O 122.857 1.313 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -54.02 -51.19 64.77 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.259 0.936 . . . . 0.0 109.907 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.74 -36.55 81.32 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.54 1.064 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.29 -45.9 91.21 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.276 0.944 . . . . 0.0 109.227 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 t -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.1 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.2 -48.77 77.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.3 77.94 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.765 0.712 . . . . 0.0 109.488 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 14' ' ' MET . 1.2 tmt? -56.72 -50.01 73.47 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.03 -38.42 76.21 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.51 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.31 -45.85 75.27 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.375 0.989 . . . . 0.0 108.736 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.0 mm -57.56 -48.77 82.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -65.49 -32.1 73.53 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.061 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -55.06 -37.53 66.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.953 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.75 -52.77 8.06 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.119 0.872 . . . . 0.0 109.242 175.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.5 -43.47 98.73 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.471 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.27 -42.61 91.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.123 0.874 . . . . 0.0 111.21 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.5 -46.73 75.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -53.52 -38.84 64.13 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.471 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -63.21 -49.46 74.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.826 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.7 -43.23 94.15 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.621 1.555 . . . . 0.0 108.552 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.06 -45.82 86.44 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.818 1.19 . . . . 0.0 108.348 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.73 87.67 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.194 -0.907 . . . . 0.0 109.896 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -109.38 46.1 1.02 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.448 0.567 . . . . 0.0 111.087 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttp . . . . . 0 C--N 1.356 0.878 0 CA-C-O 121.854 0.835 . . . . 0.0 109.724 175.226 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 CA--C 1.512 -0.508 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -61.57 -51.63 67.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.919 1.236 . . . . 0.0 109.628 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.82 -37.9 77.44 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.448 1.022 . . . . 0.0 109.78 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -66.13 -45.96 79.24 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.576 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -62.35 -40.49 96.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 118.486 0.584 . . . . 0.0 110.64 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.69 -46.71 93.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.61 86.65 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.697 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.44 -44.74 95.51 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.291 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.41 -54.55 42.1 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.543 -0.863 . . . . 0.0 108.702 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.71 -40.44 66.06 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.422 0.555 . . . . 0.0 110.848 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.33 -50.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.06 -27.87 69.2 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.652 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -54.39 -31.08 54.12 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 117.579 -1.2 . . . . 0.0 109.908 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -52.82 8.79 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.078 1.308 . . . . 0.0 108.992 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.06 -42.9 75.65 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.957 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -63.2 -42.32 99.29 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.279 0.945 . . . . 0.0 110.96 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.68 -45.18 75.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -54.15 -39.09 66.2 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.27 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.66 -47.75 82.31 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.306 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.86 -36.85 84.58 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.963 1.711 . . . . 0.0 109.391 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.8 -32.61 74.24 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.27 0.941 . . . . 0.0 109.58 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.1 42.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.634 1.106 . . . . 0.0 108.42 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -96.31 68.53 2.61 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.506 -0.739 0 CA-C-O 122.543 1.163 . . . . 0.0 109.103 -176.309 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tp . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -66.18 -56.39 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.293 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.681 1.128 . . . . 0.0 110.28 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.7 -46.75 86.68 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.804 0.729 . . . . 0.0 109.365 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 t -66.53 -39.47 88.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.628 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.2 -49.36 73.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.96 84.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.154 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.0 ttp -55.77 -45.94 78.0 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.81 -50.0 75.51 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.754 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -55.31 -42.72 74.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.123 0.874 . . . . 0.0 110.44 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.73 -48.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -62.4 -31.32 71.98 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.87 -31.1 64.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.031 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -53.7 11.6 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 108.715 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.41 -42.56 83.05 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.875 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.23 -42.78 99.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.324 0.966 . . . . 0.0 110.484 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.67 -45.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -54.37 -39.37 67.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.235 -0.986 . . . . 0.0 109.376 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -63.25 -49.29 74.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.596 1.544 . . . . 0.0 109.426 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.49 -46.79 81.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.584 1.084 . . . . 0.0 108.549 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.38 76.25 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -93.93 70.6 4.0 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--N 1.353 0.759 0 CA-C-O 121.974 0.893 . . . . 0.0 109.504 -174.503 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -59.03 -57.79 11.54 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.899 1.227 . . . . 0.0 110.793 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.05 -38.57 91.55 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.0 110.84 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.46 -44.95 92.98 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 118.977 0.808 . . . . 0.0 110.242 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -64.54 -41.97 96.02 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.52 -43.97 98.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.28 91.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.115 0.87 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.5 tmm? -57.95 -50.45 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.64 -46.55 80.95 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.598 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.72 -45.31 85.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.8 0.727 . . . . 0.0 109.64 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -59.46 -48.94 85.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.85 -32.78 74.08 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.276 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -50.05 -31.02 12.02 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.877 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.65 -54.85 3.13 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.688 1.131 . . . . 0.0 110.365 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 p-10 -67.91 -36.69 80.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.316 0.962 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 55.7 t80 -69.55 -42.05 75.09 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.394 0.997 . . . . 0.0 110.879 -175.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.76 -46.38 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -55.8 -37.92 69.27 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.567 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.76 -49.89 68.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.026 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.81 -38.48 91.24 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.302 1.41 . . . . 0.0 109.31 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.28 -46.68 85.67 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.413 1.006 . . . . 0.0 108.368 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.98 76.95 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.526 -0.75 . . . . 0.0 109.27 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -102.3 53.69 0.8 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptt . . . . . 0 C--N 1.356 0.853 0 CA-C-O 122.461 1.124 . . . . 0.0 111.718 174.376 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 t -52.31 -49.43 64.23 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.543 1.065 . . . . 0.0 109.881 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -60.15 -40.07 88.58 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.509 1.05 . . . . 0.0 110.131 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.4 -49.11 76.81 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.188 0.904 . . . . 0.0 109.783 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -57.31 -42.6 82.13 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.107 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.09 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.54 82.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.325 0.966 . . . . 0.0 109.686 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.2 mtp -58.32 -48.16 81.43 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 119.614 -0.835 . . . . 0.0 108.833 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.83 -47.41 80.38 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.596 -0.841 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.21 -42.39 86.1 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.396 0.544 . . . . 0.0 109.745 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.19 -48.77 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.59 -33.07 71.0 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.012 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -54.38 -30.93 53.53 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.301 -1.333 . . . . 0.0 110.291 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -54.03 12.33 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.709 1.595 . . . . 0.0 108.948 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.48 -46.21 70.3 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.137 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.08 -39.59 92.95 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.737 1.153 . . . . 0.0 110.857 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.7 -46.4 89.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -56.02 -39.23 71.62 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 119.25 -0.98 . . . . 0.0 109.577 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.54 -53.29 54.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.19 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.58 -37.8 85.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.947 1.249 . . . . 0.0 110.275 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.36 -47.79 77.97 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.5 81.59 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.532 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -107.33 56.56 0.64 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.505 0.593 . . . . 0.0 110.701 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.721 0.772 . . . . 0.0 109.568 171.497 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -54.36 -52.92 60.1 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.352 0.978 . . . . 0.0 110.013 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.63 -39.4 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.938 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -59.72 -49.41 77.86 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.398 0.999 . . . . 0.0 109.522 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -61.07 -42.75 99.08 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 118.768 0.713 . . . . 0.0 110.504 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.44 -49.53 80.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.61 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.396 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -61.67 -47.26 86.15 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.81 -40.92 90.02 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.087 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.599 1.09 . . . . 0.0 110.194 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.8 -52.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -63.48 -45.62 89.92 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.237 -171.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -45.34 -27.26 0.64 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.408 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.8 -52.45 3.98 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.134 1.333 . . . . 0.0 109.44 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.08 -36.97 86.0 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.557 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -67.89 -43.2 79.87 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.921 0.782 . . . . 0.0 110.982 -176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.31 -46.15 66.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -54.16 -38.73 65.85 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.181 0.901 . . . . 0.0 109.406 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -64.12 -44.72 91.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.223 -1.37 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.69 -35.86 77.74 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.067 1.758 . . . . 0.0 109.41 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.46 -27.7 68.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.74 -47.5 38.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.694 1.134 . . . . 0.0 108.555 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -103.29 74.43 1.28 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp . . . . . 0 C--N 1.353 0.738 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt . . . . . 0 CA--C 1.513 -0.463 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -57.34 -48.71 78.3 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.866 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -60.07 -36.42 77.32 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.686 1.13 . . . . 0.0 110.156 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.08 -52.17 64.97 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.56 1.073 . . . . 0.0 109.062 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.4 t -59.38 -39.36 83.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.727 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.17 -48.32 78.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.44 88.04 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 109.949 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.0 ttp -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.71 -35.57 78.41 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.11 -47.24 71.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.49 -50.94 75.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -65.34 -30.64 71.5 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.138 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -48.28 -33.77 9.3 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.411 1.005 . . . . 0.0 110.062 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -43.29 -55.02 4.25 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.236 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -63.74 -37.28 86.77 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.944 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.5 -42.04 96.07 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 118.764 0.711 . . . . 0.0 110.541 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.42 -51.32 34.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -51.28 -39.63 57.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.804 -0.759 . . . . 0.0 109.56 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -66.37 -52.41 47.21 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.01 -34.32 77.32 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.876 1.671 . . . . 0.0 109.945 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.11 -47.08 81.39 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.22 91.66 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.613 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -92.8 74.64 4.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--N 1.355 0.844 0 CA-C-O 122.638 1.209 . . . . 0.0 108.347 -178.46 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.8 m -55.28 -49.44 72.09 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.451 -0.899 . . . . 0.0 109.361 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -41.97 87.18 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.169 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -62.7 -46.6 87.38 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.602 0.637 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -64.0 -42.76 97.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.413 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.6 mm -63.37 -46.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.77 93.22 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.316 0.962 . . . . 0.0 109.979 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 tpt -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.96 -44.55 97.16 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.573 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -59.9 -41.6 92.0 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 118.876 0.762 . . . . 0.0 109.54 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.94 -49.78 82.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -62.77 -32.89 74.13 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.414 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -51.61 -28.01 12.93 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.296 -1.335 . . . . 0.0 110.251 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.61 -54.71 7.28 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.224 1.375 . . . . 0.0 109.577 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.76 -33.22 73.53 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.911 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -69.74 -45.64 67.69 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.23 0.923 . . . . 0.0 109.441 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.43 -48.5 80.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -54.32 -40.07 67.64 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.531 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -63.07 -49.33 74.92 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.887 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.21 -41.31 97.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.496 1.498 . . . . 0.0 108.448 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.5 -46.36 89.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.857 1.208 . . . . 0.0 108.588 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.42 80.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.312 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -104.56 62.02 0.72 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 C--N 1.357 0.897 0 CA-C-O 122.287 1.042 . . . . 0.0 110.761 179.61 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 -51.26 63.97 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 121.375 -0.828 . . . . 0.0 108.787 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -57.16 -35.16 69.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.599 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.85 -49.71 60.64 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.401 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 m -61.5 -41.96 98.07 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.111 0.869 . . . . 0.0 109.435 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.04 -47.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.7 92.84 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.103 0.865 . . . . 0.0 110.627 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 ttp -60.61 -50.23 74.34 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.46 -37.48 72.93 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -64.78 -40.96 96.12 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.949 0.795 . . . . 0.0 109.278 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -66.6 -52.92 40.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.79 -29.18 69.29 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.756 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -46.61 -37.31 7.98 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.01 0.823 . . . . 0.0 109.646 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.906 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.84 -36.58 84.37 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.636 1.107 . . . . 0.0 110.379 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.25 -43.79 81.02 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.769 0.713 . . . . 0.0 110.218 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.8 -47.67 68.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -54.17 -40.85 67.88 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.373 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -63.77 -50.44 69.02 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.919 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.28 -37.03 86.06 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.279 1.399 . . . . 0.0 109.372 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.74 -46.91 85.87 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.954 1.252 . . . . 0.0 108.27 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.76 83.16 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.194 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.65 67.52 1.28 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 tttp . . . . . 0 C--N 1.353 0.731 0 CA-C-O 122.613 1.196 . . . . 0.0 109.291 -176.317 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 CA--C 1.514 -0.434 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 m -64.03 -49.59 71.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.3 0.955 . . . . 0.0 108.84 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.72 -40.04 78.67 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.196 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -64.66 -46.76 81.1 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.088 0.858 . . . . 0.0 110.141 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -64.73 -42.23 95.37 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 118.687 0.676 . . . . 0.0 109.946 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.49 -46.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.94 96.96 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.816 0.734 . . . . 0.0 110.09 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.02 -45.61 92.24 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.79 -46.93 88.57 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.005 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -54.67 -42.59 71.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.619 0.645 . . . . 0.0 109.943 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.85 -50.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -60.28 -33.09 71.85 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.785 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -46.22 -34.76 4.61 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.219 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.83 -51.84 5.28 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.61 1.095 . . . . 0.0 110.227 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.56 -39.91 92.24 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.475 1.034 . . . . 0.0 110.468 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.93 -44.26 85.64 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 111.071 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.21 -48.08 70.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -56.61 -40.79 75.93 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.594 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -63.99 -49.97 70.38 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.838 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.12 -43.78 97.44 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.993 1.27 . . . . 0.0 108.225 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.04 -45.54 86.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.844 1.202 . . . . 0.0 108.379 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.42 88.88 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.0 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -112.19 46.78 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.586 0.63 . . . . 0.0 110.968 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--N 1.355 0.825 0 CA-C-O 122.814 1.293 . . . . 0.0 109.75 175.437 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.52 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -55.22 -53.13 59.94 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.26 1.391 . . . . 0.0 109.273 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.45 -37.57 73.04 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.97 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.21 -46.67 87.86 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.394 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -63.58 -41.99 98.32 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.978 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.61 -46.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.81 85.35 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.518 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -45.75 92.18 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.53 -39.14 89.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.352 -0.833 . . . . 0.0 110.229 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.1 -44.66 79.4 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.21 -50.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -66.87 -28.95 68.75 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.623 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -51.0 -38.32 50.53 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.91 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.15 -51.98 5.72 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.629 0.649 . . . . 0.0 109.929 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.43 -45.18 92.1 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.249 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.16 -44.43 87.94 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.317 0.962 . . . . 0.0 111.419 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.19 -52.05 37.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -51.4 -39.85 58.07 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -64.9 -49.68 69.5 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.739 -1.124 . . . . 0.0 111.067 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.12 -38.88 92.1 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.374 1.443 . . . . 0.0 108.934 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.71 -46.63 87.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.866 1.212 . . . . 0.0 108.003 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.19 73.91 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.742 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -110.65 45.48 1.14 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.05 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.355 0.816 0 CA-C-O 122.397 1.094 . . . . 0.0 112.42 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -62.9 -50.97 68.76 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.012 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -60.58 -34.77 74.69 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.708 1.14 . . . . 0.0 110.03 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -64.51 -45.22 88.16 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.294 0.952 . . . . 0.0 109.214 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -63.44 -40.06 96.15 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 118.701 0.682 . . . . 0.0 110.915 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.52 -49.28 72.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.71 78.62 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.492 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ttt -57.16 -48.14 79.46 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.12 -52.2 66.74 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.249 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.6 -39.51 77.0 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 118.429 0.559 . . . . 0.0 110.883 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.01 -48.32 86.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -61.6 -30.61 70.8 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.859 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -53.75 -29.95 42.13 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.133 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -54.16 12.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.519 1.509 . . . . 0.0 108.919 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -66.32 -41.9 89.0 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.59 -45.22 91.4 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.493 1.042 . . . . 0.0 111.105 -173.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.26 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -53.84 -37.81 63.99 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.464 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -65.22 -52.1 56.78 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.801 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.0 -36.51 79.68 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 121.018 1.736 . . . . 0.0 109.402 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -47.27 82.16 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.35 -40.79 75.06 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -96.89 62.1 1.86 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.244 1.021 . . . . 0.0 109.086 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -63.53 -53.62 48.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.53 1.059 . . . . 0.0 109.423 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.94 -37.73 77.39 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.688 1.131 . . . . 0.0 109.733 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.28 -46.5 89.62 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.186 0.903 . . . . 0.0 108.975 175.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -58.99 -41.14 86.92 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 119.093 0.86 . . . . 0.0 109.935 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.64 -46.79 85.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.569 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.5 86.11 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.677 1.126 . . . . 0.0 109.74 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -48.78 69.56 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.87 -40.18 94.51 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.16 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -60.72 -40.98 94.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.856 0.753 . . . . 0.0 109.448 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.38 -54.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -64.47 -25.17 67.88 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.764 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -53.84 -38.08 64.29 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.519 1.054 . . . . 0.0 109.245 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -51.36 7.22 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.822 0.737 . . . . 0.0 109.622 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.223 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.77 -43.31 94.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.39 0.996 . . . . 0.0 111.476 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.62 -49.87 60.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -53.29 -38.85 63.49 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.607 176.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -64.84 -52.68 55.4 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.651 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.54 -40.25 90.87 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.403 1.456 . . . . 0.0 108.685 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.53 -46.17 91.06 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.29 0.95 . . . . 0.0 108.449 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -38.84 74.44 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -102.43 46.45 0.92 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.776 -0.631 . . . . 0.0 110.293 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.353 0.752 0 CA-C-O 121.863 0.839 . . . . 0.0 109.976 178.043 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tp . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.3 m -61.76 -50.66 71.48 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.536 1.062 . . . . 0.0 109.917 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.44 -38.8 81.65 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.635 1.107 . . . . 0.0 109.751 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.66 -44.33 90.74 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.795 0.725 . . . . 0.0 110.407 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -66.27 -42.25 88.73 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.689 0.677 . . . . 0.0 110.002 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.11 -47.47 92.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.1 89.35 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.685 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ttp -57.59 -48.51 79.18 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.18 -50.89 71.44 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.316 -0.85 . . . . 0.0 108.754 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.57 -45.62 57.28 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.842 0.747 . . . . 0.0 110.441 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.21 -49.41 81.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.85 -30.26 70.73 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.188 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.49 -31.21 63.84 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.861 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.37 -51.43 8.56 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.272 1.396 . . . . 0.0 109.033 174.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.5 -44.09 79.3 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.71 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -62.99 -42.05 99.73 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.341 0.973 . . . . 0.0 111.681 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.7 t -70.84 -48.58 56.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -53.1 -37.89 62.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.318 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -65.57 -51.72 57.64 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.832 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.81 -36.44 81.13 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.916 1.689 . . . . 0.0 109.577 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.21 -47.61 79.06 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.92 74.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.704 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -100.8 57.67 0.9 Allowed 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.353 0.737 0 CA-C-O 122.186 0.993 . . . . 0.0 111.185 176.071 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 CA--C 1.513 -0.458 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -65.46 -50.31 65.85 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.559 1.072 . . . . 0.0 108.747 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.61 -39.96 74.51 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.993 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -61.86 -47.99 82.53 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 118.999 0.818 . . . . 0.0 109.77 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -63.29 -44.64 94.47 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.512 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.53 -45.69 91.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -43.23 91.29 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.29 0.95 . . . . 0.0 110.089 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.5 79.32 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.62 -48.01 82.44 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.305 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.7 mt -56.56 -49.36 77.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -64.48 -25.0 67.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.158 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -52.3 -36.17 52.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 120.586 1.539 . . . . 0.0 109.256 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.87 -51.21 2.45 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.284 0.947 . . . . 0.0 110.169 175.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.82 -47.16 72.88 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.767 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.58 -44.39 93.33 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.503 1.047 . . . . 0.0 111.699 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.22 -45.99 81.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -56.01 -39.4 71.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.546 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -63.65 -47.14 82.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.729 -1.129 . . . . 0.0 111.427 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.01 -35.96 81.07 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.668 1.576 . . . . 0.0 109.519 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.46 -30.9 71.35 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.352 0.978 . . . . 0.0 109.767 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.32 67.04 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.472 1.033 . . . . 0.0 108.7 173.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.58 77.16 1.17 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.052 1.406 . . . . 0.0 107.56 177.225 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -62.45 -50.02 73.12 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.26 -43.55 92.47 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.216 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.43 -50.55 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.69 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.6 t -57.1 -43.31 82.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.109 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.01 -44.5 92.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.82 92.84 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.235 0.925 . . . . 0.0 110.103 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttp -60.26 -48.05 83.38 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.6 -37.59 76.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.115 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -51.19 63.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.04 -51.01 66.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -61.83 -33.01 73.38 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.417 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -48.53 -34.52 11.47 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.122 0.873 . . . . 0.0 110.041 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -41.02 -53.65 2.95 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.656 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.87 -37.09 85.48 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.352 0.978 . . . . 0.0 110.2 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -64.9 -44.61 89.05 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.91 0.777 . . . . 0.0 110.418 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.56 -50.09 53.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -52.35 -39.24 60.47 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.509 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -65.24 -48.15 74.3 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.431 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.82 -35.48 80.14 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.776 1.625 . . . . 0.0 110.035 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.93 -37.58 84.59 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.16 0.891 . . . . 0.0 108.871 177.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.67 92.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.028 0.831 . . . . 0.0 109.191 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.32 71.61 0.75 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--N 1.353 0.733 0 CA-C-O 122.415 1.102 . . . . 0.0 108.484 175.829 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.7 m -67.29 -50.66 59.39 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.3 -40.46 71.12 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -64.71 -45.14 87.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.156 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -66.61 -38.62 87.36 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.1 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.18 -46.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.657 0.662 . . . . 0.0 109.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -46.1 88.49 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.97 -39.62 90.3 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.866 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.4 -40.46 97.27 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.145 0.884 . . . . 0.0 109.866 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.67 -51.71 66.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -64.31 -26.37 68.46 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.388 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -53.49 -40.12 65.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.532 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -51.14 5.48 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.481 0.582 . . . . 0.0 109.697 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.37 -43.79 93.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.427 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.87 -45.48 93.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 111.782 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.39 -47.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.6 -38.18 63.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.613 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -65.44 -49.4 69.28 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.045 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.27 -38.6 91.62 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.44 1.473 . . . . 0.0 109.163 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.31 -47.03 80.98 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.78 -41.88 74.72 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.328 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -103.27 55.07 0.75 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 tptt . . . . . 0 C--N 1.355 0.822 0 CA-C-O 122.45 1.119 . . . . 0.0 111.533 174.2 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -54.75 -50.5 68.25 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 109.987 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.94 -35.96 79.96 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.448 1.022 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.38 -48.71 74.41 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.511 1.05 . . . . 0.0 109.902 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m -64.01 -42.95 96.97 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.509 0.595 . . . . 0.0 110.329 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.16 -47.81 90.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.49 94.38 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.725 0.693 . . . . 0.0 110.331 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 ttp -59.66 -47.83 84.08 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -59.74 -47.36 85.98 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.912 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -54.2 -42.29 69.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.534 0.606 . . . . 0.0 109.849 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.45 -50.27 76.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -59.89 -29.69 68.5 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.264 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.96 -32.84 61.8 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-O 117.382 -1.295 . . . . 0.0 109.991 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.21 -52.06 5.79 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.948 1.249 . . . . 0.0 109.338 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.31 -44.9 78.05 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.517 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.5 -42.15 95.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.369 0.986 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.55 -49.69 34.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -51.25 -39.24 56.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.479 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -66.6 -47.26 73.24 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.747 -1.121 . . . . 0.0 111.405 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.27 -41.02 97.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.632 1.56 . . . . 0.0 108.298 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.75 -44.79 96.22 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.87 77.78 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.277 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -101.95 50.56 0.84 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.347 0.521 . . . . 0.0 110.561 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.356 0.852 0 CA-C-O 122.797 1.284 . . . . 0.0 109.736 174.734 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -64.48 -51.22 64.09 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.688 1.131 . . . . 0.0 108.535 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -56.59 -39.79 74.15 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.914 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.39 -45.77 91.63 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.511 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t -64.37 -42.2 96.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.272 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.21 -46.71 95.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.78 85.5 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.607 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -49.52 77.12 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.75 -40.36 75.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.463 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -63.87 -42.07 97.61 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.384 0.993 . . . . 0.0 109.225 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.95 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.57 -34.09 74.98 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.015 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -54.73 -34.78 62.93 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.213 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.33 -50.06 12.38 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.023 0.829 . . . . 0.0 109.213 174.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.53 -45.41 93.09 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.051 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.17 -43.29 92.12 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.901 0.773 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.45 -46.11 72.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -54.26 -37.06 64.28 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.705 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -65.59 -49.5 68.59 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.825 -1.083 . . . . 0.0 111.122 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.53 -37.26 86.93 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.37 1.441 . . . . 0.0 109.519 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.79 -46.64 81.23 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.22 73.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.011 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -100.96 56.52 0.86 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 C--N 1.354 0.797 0 CA-C-O 122.38 1.086 . . . . 0.0 112.26 174.769 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.4 t80 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.0 170.4 16.66 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 120.044 1.293 . . . . 0.0 112.33 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.27 70.75 8.24 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 -75.35 0.61 Allowed Glycine 0 C--N 1.355 1.622 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -102.78 24.59 10.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 117.823 0.811 . . . . 0.0 110.011 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.92 -41.66 70.9 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.29 0.95 . . . . 0.0 108.492 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp -47.35 -33.27 2.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.433 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.291 0.95 . . . . 0.0 108.852 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -58.9 -35.52 73.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.347 0.976 . . . . 0.0 109.947 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 90.6 t80 -62.51 -45.61 92.2 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.05 0.841 . . . . 0.0 109.816 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -63.56 -44.78 93.14 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.773 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.77 -41.74 93.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.16 82.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.091 0.86 . . . . 0.0 109.081 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.423 ' SD ' ' CE2' ' A' ' 10' ' ' TYR . 86.8 mtp -59.02 -42.4 90.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.09 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.625 1.102 . . . . 0.0 108.616 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.53 -43.26 84.2 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.824 0.738 . . . . 0.0 110.761 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.96 -53.8 33.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -62.53 -30.85 71.6 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.219 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -51.68 -33.92 36.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.544 -1.217 . . . . 0.0 109.803 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -50.6 10.34 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.055 1.298 . . . . 0.0 109.198 174.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -46.08 85.85 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.622 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -62.82 -41.6 99.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.377 0.99 . . . . 0.0 111.877 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.27 -46.79 76.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.5 -38.39 71.71 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.633 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -63.83 -50.68 67.93 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.717 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.27 -44.55 96.26 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 120.006 1.275 . . . . 0.0 108.132 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.56 -45.41 89.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.682 1.128 . . . . 0.0 108.823 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.88 81.22 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -108.4 45.69 1.01 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--N 1.356 0.86 0 CA-C-O 122.857 1.313 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.95 78.74 5.38 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.984 1.265 . . . . 0.0 109.652 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -88.22 63.84 7.38 Favored 'General case' 0 C--N 1.355 0.848 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.74 -71.04 1.05 Allowed Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -111.83 32.5 5.42 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 117.765 0.783 . . . . 0.0 109.794 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -80.15 -32.8 38.84 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.9 -40.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -54.02 -51.19 64.77 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.259 0.936 . . . . 0.0 109.907 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -61.74 -36.55 81.32 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.54 1.064 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.29 -45.9 91.21 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.276 0.944 . . . . 0.0 109.227 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 t -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.1 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.2 -48.77 77.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.3 77.94 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.765 0.712 . . . . 0.0 109.488 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 14' ' ' MET . 1.2 tmt? -56.72 -50.01 73.47 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.03 -38.42 76.21 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.51 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -67.31 -45.85 75.27 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.375 0.989 . . . . 0.0 108.736 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.0 mm -57.56 -48.77 82.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -65.49 -32.1 73.53 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.061 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -55.06 -37.53 66.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.953 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.75 -52.77 8.06 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.119 0.872 . . . . 0.0 109.242 175.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.5 -43.47 98.73 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.471 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.27 -42.61 91.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.123 0.874 . . . . 0.0 111.21 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.5 -46.73 75.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -53.52 -38.84 64.13 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.471 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.6 t90 -63.21 -49.46 74.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.826 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.7 -43.23 94.15 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.621 1.555 . . . . 0.0 108.552 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.06 -45.82 86.44 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.818 1.19 . . . . 0.0 108.348 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.73 87.67 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.194 -0.907 . . . . 0.0 109.896 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -109.38 46.1 1.02 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.448 0.567 . . . . 0.0 111.087 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tttp . . . . . 0 C--N 1.356 0.878 0 CA-C-O 121.854 0.835 . . . . 0.0 109.724 175.226 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.2 p90 . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.55 164.17 25.62 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.926 2.148 . . . . 0.0 110.221 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -95.82 73.01 3.07 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.5 -79.25 0.21 Allowed Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -87.16 2.44 49.92 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.217 -1.373 . . . . 0.0 112.384 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.33 -44.23 95.69 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.373 1.897 . . . . 0.0 108.059 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tp -46.22 -36.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.286 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -61.57 -51.63 67.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.919 1.236 . . . . 0.0 109.628 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.82 -37.9 77.44 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.448 1.022 . . . . 0.0 109.78 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -66.13 -45.96 79.24 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.576 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -62.35 -40.49 96.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 118.486 0.584 . . . . 0.0 110.64 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.69 -46.71 93.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.61 86.65 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.697 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.44 -44.74 95.51 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.291 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.41 -54.55 42.1 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 119.543 -0.863 . . . . 0.0 108.702 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.71 -40.44 66.06 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.422 0.555 . . . . 0.0 110.848 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.33 -50.53 78.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.06 -27.87 69.2 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.652 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -54.39 -31.08 54.12 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 117.579 -1.2 . . . . 0.0 109.908 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.13 -52.82 8.79 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.078 1.308 . . . . 0.0 108.992 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.06 -42.9 75.65 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.957 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -63.2 -42.32 99.29 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.279 0.945 . . . . 0.0 110.96 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.68 -45.18 75.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -54.15 -39.09 66.2 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.27 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.66 -47.75 82.31 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.306 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.86 -36.85 84.58 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.963 1.711 . . . . 0.0 109.391 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.8 -32.61 74.24 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.27 0.941 . . . . 0.0 109.58 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.1 42.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.634 1.106 . . . . 0.0 108.42 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -96.31 68.53 2.61 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.506 -0.739 0 CA-C-O 122.543 1.163 . . . . 0.0 109.103 -176.309 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.04 93.73 7.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.02 76.39 1.2 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.91 -82.48 0.6 Allowed Glycine 0 C--N 1.356 1.663 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -80.5 -11.12 59.71 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 117.018 -1.468 . . . . 0.0 111.854 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -49.31 -41.58 38.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.075 1.761 . . . . 0.0 110.099 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tp -49.32 -35.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 119.296 0.953 . . . . 0.0 111.246 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -66.18 -56.39 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.293 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.06 -35.33 74.91 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.681 1.128 . . . . 0.0 110.28 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.7 -46.75 86.68 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.804 0.729 . . . . 0.0 109.365 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 t -66.53 -39.47 88.63 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.628 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.2 -49.36 73.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.96 84.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.154 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.0 ttp -55.77 -45.94 78.0 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.81 -50.0 75.51 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.754 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -55.31 -42.72 74.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.123 0.874 . . . . 0.0 110.44 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.73 -48.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -62.4 -31.32 71.98 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.87 -31.1 64.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.031 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -53.7 11.6 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 108.715 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.41 -42.56 83.05 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.875 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.23 -42.78 99.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.324 0.966 . . . . 0.0 110.484 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.67 -45.02 82.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -54.37 -39.37 67.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.235 -0.986 . . . . 0.0 109.376 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -63.25 -49.29 74.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.596 1.544 . . . . 0.0 109.426 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.49 -46.79 81.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.584 1.084 . . . . 0.0 108.549 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.38 76.25 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -93.93 70.6 4.0 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--N 1.353 0.759 0 CA-C-O 121.974 0.893 . . . . 0.0 109.504 -174.503 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.1 167.08 22.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.192 0.906 . . . . 0.0 109.473 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -82.86 73.39 9.9 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.1 -69.92 1.23 Allowed Glycine 0 C--N 1.355 1.609 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -111.14 34.43 4.06 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.109 0.954 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -45.75 10.16 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 173.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mm -49.07 -39.95 12.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 118.106 -0.95 . . . . 0.0 109.046 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -59.03 -57.79 11.54 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.899 1.227 . . . . 0.0 110.793 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.05 -38.57 91.55 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.0 110.84 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.46 -44.95 92.98 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 118.977 0.808 . . . . 0.0 110.242 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -64.54 -41.97 96.02 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.52 -43.97 98.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.28 91.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.115 0.87 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.5 tmm? -57.95 -50.45 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.64 -46.55 80.95 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.598 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.72 -45.31 85.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.8 0.727 . . . . 0.0 109.64 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -59.46 -48.94 85.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.85 -32.78 74.08 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.276 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -50.05 -31.02 12.02 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.877 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.65 -54.85 3.13 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.688 1.131 . . . . 0.0 110.365 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 22' ' ' PHE . 4.4 p-10 -67.91 -36.69 80.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.316 0.962 . . . . 0.0 111.096 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 55.7 t80 -69.55 -42.05 75.09 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.394 0.997 . . . . 0.0 110.879 -175.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.76 -46.38 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -55.8 -37.92 69.27 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.567 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.76 -49.89 68.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.026 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.81 -38.48 91.24 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.302 1.41 . . . . 0.0 109.31 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.28 -46.68 85.67 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.413 1.006 . . . . 0.0 108.368 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.98 76.95 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.526 -0.75 . . . . 0.0 109.27 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -102.3 53.69 0.8 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptt . . . . . 0 C--N 1.356 0.853 0 CA-C-O 122.461 1.124 . . . . 0.0 111.718 174.376 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.0 p90 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.48 176.82 9.98 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.95 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.61 49.56 2.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -67.1 2.16 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 m -101.42 12.87 36.6 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-O 118.67 -0.681 . . . . 0.0 109.959 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -72.0 -49.33 37.99 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.504 1.502 . . . . 0.0 108.741 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.11 -36.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.2 t -52.31 -49.43 64.23 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.543 1.065 . . . . 0.0 109.881 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -60.15 -40.07 88.58 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.509 1.05 . . . . 0.0 110.131 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.4 -49.11 76.81 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.188 0.904 . . . . 0.0 109.783 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -57.31 -42.6 82.13 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.107 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.09 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.54 82.13 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.325 0.966 . . . . 0.0 109.686 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.2 mtp -58.32 -48.16 81.43 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 119.614 -0.835 . . . . 0.0 108.833 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.83 -47.41 80.38 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.596 -0.841 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.21 -42.39 86.1 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.396 0.544 . . . . 0.0 109.745 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.19 -48.77 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -59.59 -33.07 71.0 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.012 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -54.38 -30.93 53.53 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.301 -1.333 . . . . 0.0 110.291 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -54.03 12.33 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.709 1.595 . . . . 0.0 108.948 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.48 -46.21 70.3 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.137 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.08 -39.59 92.95 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.737 1.153 . . . . 0.0 110.857 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.7 -46.4 89.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -56.02 -39.23 71.62 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 119.25 -0.98 . . . . 0.0 109.577 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -63.54 -53.29 54.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.19 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.58 -37.8 85.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.947 1.249 . . . . 0.0 110.275 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.36 -47.79 77.97 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.5 81.59 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.532 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -107.33 56.56 0.64 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.505 0.593 . . . . 0.0 110.701 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.721 0.772 . . . . 0.0 109.568 171.497 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.109 -0.472 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.02 64.56 1.81 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.861 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.55 78.88 0.8 Allowed 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.93 -64.33 0.02 OUTLIER Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 m -107.24 44.87 1.03 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -92.16 -46.46 7.74 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.587 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.3 mm -53.26 -39.52 35.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -54.36 -52.92 60.1 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.352 0.978 . . . . 0.0 110.013 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.63 -39.4 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.938 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -59.72 -49.41 77.86 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.398 0.999 . . . . 0.0 109.522 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -61.07 -42.75 99.08 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 118.768 0.713 . . . . 0.0 110.504 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.44 -49.53 80.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.5 77.61 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.396 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -61.67 -47.26 86.15 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.81 -40.92 90.02 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.087 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.599 1.09 . . . . 0.0 110.194 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.8 -52.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -63.48 -45.62 89.92 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.237 -171.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -45.34 -27.26 0.64 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.408 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.8 -52.45 3.98 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.134 1.333 . . . . 0.0 109.44 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.08 -36.97 86.0 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.557 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -67.89 -43.2 79.87 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.921 0.782 . . . . 0.0 110.982 -176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.31 -46.15 66.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -54.16 -38.73 65.85 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.181 0.901 . . . . 0.0 109.406 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -64.12 -44.72 91.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.223 -1.37 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.69 -35.86 77.74 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.067 1.758 . . . . 0.0 109.41 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.46 -27.7 68.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.74 -47.5 38.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.694 1.134 . . . . 0.0 108.555 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -103.29 74.43 1.28 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp . . . . . 0 C--N 1.353 0.738 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.22 170.38 0.08 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 172.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.86 64.96 1.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.33 -82.74 0.24 Allowed Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -77.31 -5.83 50.94 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.577 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -60.58 -34.33 74.03 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.773 1.624 . . . . 0.0 109.485 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -53.62 -42.17 49.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -57.34 -48.71 78.3 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.866 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -60.07 -36.42 77.32 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.686 1.13 . . . . 0.0 110.156 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.08 -52.17 64.97 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.56 1.073 . . . . 0.0 109.062 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.4 t -59.38 -39.36 83.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.727 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.17 -48.32 78.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.44 88.04 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 109.949 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.0 ttp -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.71 -35.57 78.41 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.11 -47.24 71.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.49 -50.94 75.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -65.34 -30.64 71.5 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.138 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -48.28 -33.77 9.3 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.411 1.005 . . . . 0.0 110.062 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -43.29 -55.02 4.25 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.236 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -63.74 -37.28 86.77 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.944 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.5 -42.04 96.07 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 118.764 0.711 . . . . 0.0 110.541 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.42 -51.32 34.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -51.28 -39.63 57.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.804 -0.759 . . . . 0.0 109.56 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -66.37 -52.41 47.21 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.01 -34.32 77.32 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.876 1.671 . . . . 0.0 109.945 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.11 -47.08 81.39 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.22 91.66 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.613 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -92.8 74.64 4.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--N 1.355 0.844 0 CA-C-O 122.638 1.209 . . . . 0.0 108.347 -178.46 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.83 61.89 0.72 Allowed 'General case' 0 C--N 1.354 0.788 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.26 84.22 0.25 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.91 -58.89 0.07 OUTLIER Glycine 0 C--N 1.352 1.458 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -110.06 36.22 3.1 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -83.56 -30.1 27.3 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.084 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.2 mt -56.4 -45.6 81.72 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.8 m -55.28 -49.44 72.09 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 119.451 -0.899 . . . . 0.0 109.361 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -41.97 87.18 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.169 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -62.7 -46.6 87.38 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.602 0.637 . . . . 0.0 109.591 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -64.0 -42.76 97.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.413 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.6 mm -63.37 -46.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.77 93.22 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.316 0.962 . . . . 0.0 109.979 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 tpt -59.62 -47.7 84.55 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.96 -44.55 97.16 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.573 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -59.9 -41.6 92.0 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 118.876 0.762 . . . . 0.0 109.54 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.94 -49.78 82.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -62.77 -32.89 74.13 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.414 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -51.61 -28.01 12.93 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.296 -1.335 . . . . 0.0 110.251 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -45.61 -54.71 7.28 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.224 1.375 . . . . 0.0 109.577 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.76 -33.22 73.53 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.279 -0.969 . . . . 0.0 110.911 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -69.74 -45.64 67.69 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.23 0.923 . . . . 0.0 109.441 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.43 -48.5 80.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -54.32 -40.07 67.64 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.531 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -63.07 -49.33 74.92 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.887 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.21 -41.31 97.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.496 1.498 . . . . 0.0 108.448 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.5 -46.36 89.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.857 1.208 . . . . 0.0 108.588 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.42 80.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.312 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -104.56 62.02 0.72 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 C--N 1.357 0.897 0 CA-C-O 122.287 1.042 . . . . 0.0 110.761 179.61 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.6 113.94 7.36 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.43 74.58 4.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.41 -64.18 0.03 OUTLIER Glycine 0 C--N 1.354 1.529 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -176.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.4 p -99.17 28.86 4.19 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 117.965 0.882 . . . . 0.0 110.088 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -72.59 -28.74 62.97 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.091 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -42.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 -51.26 63.97 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 121.375 -0.828 . . . . 0.0 108.787 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -57.16 -35.16 69.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.599 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.85 -49.71 60.64 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.401 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 m -61.5 -41.96 98.07 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.111 0.869 . . . . 0.0 109.435 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.04 -47.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.7 92.84 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.103 0.865 . . . . 0.0 110.627 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 ttp -60.61 -50.23 74.34 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.46 -37.48 72.93 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -64.78 -40.96 96.12 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.949 0.795 . . . . 0.0 109.278 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.4 mt -66.6 -52.92 40.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.79 -29.18 69.29 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.756 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -46.61 -37.31 7.98 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.01 0.823 . . . . 0.0 109.646 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.906 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.84 -36.58 84.37 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.636 1.107 . . . . 0.0 110.379 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.25 -43.79 81.02 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.769 0.713 . . . . 0.0 110.218 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.8 -47.67 68.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -54.17 -40.85 67.88 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.373 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -63.77 -50.44 69.02 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.919 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.28 -37.03 86.06 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.279 1.399 . . . . 0.0 109.372 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.74 -46.91 85.87 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.954 1.252 . . . . 0.0 108.27 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.76 83.16 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.194 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.65 67.52 1.28 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 tttp . . . . . 0 C--N 1.353 0.731 0 CA-C-O 122.613 1.196 . . . . 0.0 109.291 -176.317 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 70.4 t80 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 117.657 -1.163 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.97 60.6 3.7 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.584 1.083 . . . . 0.0 110.233 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.19 79.64 0.7 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 -66.37 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -106.71 39.71 1.79 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.88 -37.93 33.73 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.172 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -45.52 -38.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.314 0.961 . . . . 0.0 111.04 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 m -64.03 -49.59 71.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.3 0.955 . . . . 0.0 108.84 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.72 -40.04 78.67 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.196 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -64.66 -46.76 81.1 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.088 0.858 . . . . 0.0 110.141 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -64.73 -42.23 95.37 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 118.687 0.676 . . . . 0.0 109.946 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.49 -46.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.94 96.96 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.816 0.734 . . . . 0.0 110.09 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.02 -45.61 92.24 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.79 -46.93 88.57 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.005 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -54.67 -42.59 71.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.619 0.645 . . . . 0.0 109.943 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.85 -50.17 56.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -60.28 -33.09 71.85 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.785 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -46.22 -34.76 4.61 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.219 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.83 -51.84 5.28 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.61 1.095 . . . . 0.0 110.227 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.56 -39.91 92.24 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.475 1.034 . . . . 0.0 110.468 -176.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.93 -44.26 85.64 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.307 0.958 . . . . 0.0 111.071 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.21 -48.08 70.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -56.61 -40.79 75.93 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.594 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -63.99 -49.97 70.38 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.838 -176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.12 -43.78 97.44 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.993 1.27 . . . . 0.0 108.225 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.04 -45.54 86.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.844 1.202 . . . . 0.0 108.379 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.42 88.88 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.0 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -112.19 46.78 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.586 0.63 . . . . 0.0 110.968 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--N 1.355 0.825 0 CA-C-O 122.814 1.293 . . . . 0.0 109.75 175.437 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.65 166.51 14.05 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.6 79.43 3.27 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.67 -60.27 0.07 OUTLIER Glycine 0 C--N 1.352 1.442 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.3 m -102.49 46.33 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -92.35 -47.94 6.92 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -38.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -55.22 -53.13 59.94 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.26 1.391 . . . . 0.0 109.273 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.45 -37.57 73.04 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.97 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.21 -46.67 87.86 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.394 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -63.58 -41.99 98.32 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.978 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.61 -46.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.81 85.35 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.518 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -45.75 92.18 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.53 -39.14 89.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.352 -0.833 . . . . 0.0 110.229 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.1 -44.66 79.4 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.21 -50.28 77.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -66.87 -28.95 68.75 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.623 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -51.0 -38.32 50.53 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.91 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.15 -51.98 5.72 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.629 0.649 . . . . 0.0 109.929 175.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.43 -45.18 92.1 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.249 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.16 -44.43 87.94 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.317 0.962 . . . . 0.0 111.419 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.19 -52.05 37.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -51.4 -39.85 58.07 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -64.9 -49.68 69.5 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.739 -1.124 . . . . 0.0 111.067 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.12 -38.88 92.1 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.374 1.443 . . . . 0.0 108.934 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.71 -46.63 87.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.866 1.212 . . . . 0.0 108.003 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.19 73.91 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.742 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -110.65 45.48 1.14 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.05 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.355 0.816 0 CA-C-O 122.397 1.094 . . . . 0.0 112.42 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.33 151.26 23.9 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.723 1.147 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.81 65.56 8.43 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.53 -87.16 1.28 Allowed Glycine 0 C--N 1.356 1.651 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.8 p -68.92 -16.53 63.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -39.75 -46.39 1.9 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.427 1.467 . . . . 0.0 112.132 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tp -48.26 -37.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 119.195 0.907 . . . . 0.0 110.714 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -62.9 -50.97 68.76 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.012 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -60.58 -34.77 74.69 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.708 1.14 . . . . 0.0 110.03 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -64.51 -45.22 88.16 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.294 0.952 . . . . 0.0 109.214 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -63.44 -40.06 96.15 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 118.701 0.682 . . . . 0.0 110.915 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.52 -49.28 72.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.71 78.62 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.492 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ttt -57.16 -48.14 79.46 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.12 -52.2 66.74 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.249 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.6 -39.51 77.0 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 118.429 0.559 . . . . 0.0 110.883 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.01 -48.32 86.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -61.6 -30.61 70.8 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.859 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -53.75 -29.95 42.13 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.133 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -54.16 12.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.519 1.509 . . . . 0.0 108.919 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -66.32 -41.9 89.0 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -63.59 -45.22 91.4 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.493 1.042 . . . . 0.0 111.105 -173.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.26 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -53.84 -37.81 63.99 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.289 -0.965 . . . . 0.0 109.464 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -65.22 -52.1 56.78 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.801 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.0 -36.51 79.68 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 121.018 1.736 . . . . 0.0 109.402 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -47.27 82.16 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.35 -40.79 75.06 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -96.89 62.1 1.86 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.244 1.021 . . . . 0.0 109.086 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.43 172.88 6.69 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.646 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.22 74.45 0.34 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.581 0.628 . . . . 0.0 109.459 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.82 -72.22 0.96 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -109.84 31.28 5.95 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 117.766 0.783 . . . . 0.0 109.508 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -47.85 16.09 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -44.73 -35.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.126 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -63.53 -53.62 48.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.53 1.059 . . . . 0.0 109.423 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -58.94 -37.73 77.39 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.688 1.131 . . . . 0.0 109.733 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.28 -46.5 89.62 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.186 0.903 . . . . 0.0 108.975 175.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -58.99 -41.14 86.92 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 119.093 0.86 . . . . 0.0 109.935 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.64 -46.79 85.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.569 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.5 86.11 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.677 1.126 . . . . 0.0 109.74 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -48.78 69.56 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.87 -40.18 94.51 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.16 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -60.72 -40.98 94.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.856 0.753 . . . . 0.0 109.448 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.38 -54.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -64.47 -25.17 67.88 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.764 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -53.84 -38.08 64.29 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.519 1.054 . . . . 0.0 109.245 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -51.36 7.22 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.822 0.737 . . . . 0.0 109.622 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.223 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.77 -43.31 94.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.39 0.996 . . . . 0.0 111.476 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.62 -49.87 60.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -53.29 -38.85 63.49 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.607 176.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -64.84 -52.68 55.4 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.651 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.54 -40.25 90.87 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.403 1.456 . . . . 0.0 108.685 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.53 -46.17 91.06 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.29 0.95 . . . . 0.0 108.449 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -38.84 74.44 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -102.43 46.45 0.92 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.776 -0.631 . . . . 0.0 110.293 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.353 0.752 0 CA-C-O 121.863 0.839 . . . . 0.0 109.976 178.043 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.16 56.7 7.51 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.734 0.647 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -73.71 81.54 1.57 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.53 -60.53 0.03 OUTLIER Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -111.31 38.63 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -84.75 -47.86 10.0 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tp -46.89 -35.81 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.82 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.3 m -61.76 -50.66 71.48 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.536 1.062 . . . . 0.0 109.917 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.44 -38.8 81.65 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.635 1.107 . . . . 0.0 109.751 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.66 -44.33 90.74 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.795 0.725 . . . . 0.0 110.407 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -66.27 -42.25 88.73 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.689 0.677 . . . . 0.0 110.002 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.11 -47.47 92.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.1 89.35 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.685 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ttp -57.59 -48.51 79.18 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.18 -50.89 71.44 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.316 -0.85 . . . . 0.0 108.754 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.57 -45.62 57.28 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.842 0.747 . . . . 0.0 110.441 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.21 -49.41 81.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.85 -30.26 70.73 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.188 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.49 -31.21 63.84 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.861 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.37 -51.43 8.56 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.272 1.396 . . . . 0.0 109.033 174.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.5 -44.09 79.3 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.71 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -62.99 -42.05 99.73 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.341 0.973 . . . . 0.0 111.681 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.7 t -70.84 -48.58 56.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -53.1 -37.89 62.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.318 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -65.57 -51.72 57.64 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.832 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.81 -36.44 81.13 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.916 1.689 . . . . 0.0 109.577 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.21 -47.61 79.06 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.92 74.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.704 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -100.8 57.67 0.9 Allowed 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.353 0.737 0 CA-C-O 122.186 0.993 . . . . 0.0 111.185 176.071 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.77 59.48 0.86 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.58 74.13 8.58 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.62 -69.38 0.01 OUTLIER Glycine 0 C--N 1.354 1.552 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -105.3 43.32 1.13 Allowed 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 173.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.42 -42.29 36.71 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.882 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -45.01 -38.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 119.111 0.869 . . . . 0.0 111.622 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -65.46 -50.31 65.85 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.559 1.072 . . . . 0.0 108.747 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.61 -39.96 74.51 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.993 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -61.86 -47.99 82.53 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 118.999 0.818 . . . . 0.0 109.77 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -63.29 -44.64 94.47 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.512 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.53 -45.69 91.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -43.23 91.29 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.29 0.95 . . . . 0.0 110.089 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.5 79.32 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.62 -48.01 82.44 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.305 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.7 mt -56.56 -49.36 77.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -64.48 -25.0 67.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.158 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -52.3 -36.17 52.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 120.586 1.539 . . . . 0.0 109.256 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.87 -51.21 2.45 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.284 0.947 . . . . 0.0 110.169 175.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.82 -47.16 72.88 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.767 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.58 -44.39 93.33 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.503 1.047 . . . . 0.0 111.699 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.22 -45.99 81.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -56.01 -39.4 71.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.546 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -63.65 -47.14 82.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.729 -1.129 . . . . 0.0 111.427 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.01 -35.96 81.07 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.668 1.576 . . . . 0.0 109.519 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.46 -30.9 71.35 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.352 0.978 . . . . 0.0 109.767 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.32 67.04 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.472 1.033 . . . . 0.0 108.7 173.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.58 77.16 1.17 Allowed 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.052 1.406 . . . . 0.0 107.56 177.225 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.89 171.29 14.29 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.034 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.22 65.12 3.51 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.9 -77.4 0.39 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-O 118.366 -1.241 . . . . 0.0 110.195 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -104.86 34.11 3.32 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.05 0.925 . . . . 0.0 109.328 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.24 -11.4 54.94 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 116.664 -1.636 . . . . 0.0 110.491 172.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.0 mm -66.92 -46.26 85.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 121.708 2.049 . . . . 0.0 106.861 174.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -62.45 -50.02 73.12 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.26 -43.55 92.47 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.216 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.43 -50.55 73.31 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.69 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.6 t -57.1 -43.31 82.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.109 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.01 -44.5 92.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.82 92.84 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.235 0.925 . . . . 0.0 110.103 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttp -60.26 -48.05 83.38 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.6 -37.59 76.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.115 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -51.19 63.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.04 -51.01 66.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -61.83 -33.01 73.38 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.417 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -48.53 -34.52 11.47 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.122 0.873 . . . . 0.0 110.041 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -41.02 -53.65 2.95 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.656 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.87 -37.09 85.48 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.352 0.978 . . . . 0.0 110.2 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -64.9 -44.61 89.05 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.91 0.777 . . . . 0.0 110.418 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.56 -50.09 53.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -52.35 -39.24 60.47 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.509 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -65.24 -48.15 74.3 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.431 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.82 -35.48 80.14 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.776 1.625 . . . . 0.0 110.035 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.93 -37.58 84.59 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.16 0.891 . . . . 0.0 108.871 177.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.67 92.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.028 0.831 . . . . 0.0 109.191 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.32 71.61 0.75 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--N 1.353 0.733 0 CA-C-O 122.415 1.102 . . . . 0.0 108.484 175.829 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 117.352 -1.309 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.15 179.44 0.06 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.366 0.985 . . . . 0.0 112.424 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -137.9 53.85 1.82 Allowed 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.05 -71.25 0.88 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-O 118.475 -1.181 . . . . 0.0 110.861 -174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.0 m -106.34 31.44 5.17 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 117.953 0.876 . . . . 0.0 108.692 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -74.9 -39.56 61.38 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.166 -0.921 . . . . 0.0 108.755 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tp -48.34 -36.46 6.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 118.987 0.812 . . . . 0.0 111.256 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.7 m -67.29 -50.66 59.39 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.3 -40.46 71.12 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -64.71 -45.14 87.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.156 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -66.61 -38.62 87.36 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.1 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.18 -46.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.657 0.662 . . . . 0.0 109.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -46.1 88.49 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -60.97 -39.62 90.3 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.866 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.4 -40.46 97.27 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.145 0.884 . . . . 0.0 109.866 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.67 -51.71 66.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -64.31 -26.37 68.46 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.388 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -53.49 -40.12 65.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.532 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -51.14 5.48 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.481 0.582 . . . . 0.0 109.697 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.37 -43.79 93.39 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.427 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.87 -45.48 93.6 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 111.782 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.39 -47.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.6 -38.18 63.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.613 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -65.44 -49.4 69.28 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.045 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.27 -38.6 91.62 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.44 1.473 . . . . 0.0 109.163 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.31 -47.03 80.98 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.78 -41.88 74.72 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.328 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -103.27 55.07 0.75 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 tptt . . . . . 0 C--N 1.355 0.822 0 CA-C-O 122.45 1.119 . . . . 0.0 111.533 174.2 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.6 p90 . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.31 170.76 18.73 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.182 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.89 76.83 5.38 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.93 -72.17 0.9 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -105.33 29.77 6.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.859 0.83 . . . . 0.0 109.813 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -34.9 29.54 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt -52.56 -41.18 36.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -54.75 -50.5 68.25 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 109.987 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -61.94 -35.96 79.96 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.448 1.022 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.38 -48.71 74.41 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.511 1.05 . . . . 0.0 109.902 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m -64.01 -42.95 96.97 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.509 0.595 . . . . 0.0 110.329 -177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.16 -47.81 90.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.49 94.38 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.725 0.693 . . . . 0.0 110.331 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 ttp -59.66 -47.83 84.08 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -59.74 -47.36 85.98 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.912 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -54.2 -42.29 69.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 118.534 0.606 . . . . 0.0 109.849 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.45 -50.27 76.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -59.89 -29.69 68.5 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.264 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.96 -32.84 61.8 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-O 117.382 -1.295 . . . . 0.0 109.991 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.21 -52.06 5.79 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.948 1.249 . . . . 0.0 109.338 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.31 -44.9 78.05 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.517 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.5 -42.15 95.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.369 0.986 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.55 -49.69 34.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -51.25 -39.24 56.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.479 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -66.6 -47.26 73.24 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.747 -1.121 . . . . 0.0 111.405 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.27 -41.02 97.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.632 1.56 . . . . 0.0 108.298 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.75 -44.79 96.22 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.87 77.78 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.277 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -101.95 50.56 0.84 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.347 0.521 . . . . 0.0 110.561 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.356 0.852 0 CA-C-O 122.797 1.284 . . . . 0.0 109.736 174.734 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.28 62.33 0.6 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.72 81.96 0.44 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -176.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.73 -65.14 0.03 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -103.63 49.94 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.59 -48.43 6.85 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -43.97 -39.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.961 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -64.48 -51.22 64.09 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.688 1.131 . . . . 0.0 108.535 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -56.59 -39.79 74.15 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.914 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.39 -45.77 91.63 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.511 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t -64.37 -42.2 96.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.272 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.21 -46.71 95.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.78 85.5 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.607 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -49.52 77.12 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.75 -40.36 75.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.463 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -63.87 -42.07 97.61 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.384 0.993 . . . . 0.0 109.225 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.95 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.57 -34.09 74.98 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.015 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -54.73 -34.78 62.93 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.213 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.33 -50.06 12.38 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.023 0.829 . . . . 0.0 109.213 174.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.53 -45.41 93.09 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.051 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.17 -43.29 92.12 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.901 0.773 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.45 -46.11 72.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -54.26 -37.06 64.28 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.705 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -65.59 -49.5 68.59 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.825 -1.083 . . . . 0.0 111.122 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.53 -37.26 86.93 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.37 1.441 . . . . 0.0 109.519 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.79 -46.64 81.23 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.22 73.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.011 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -100.96 56.52 0.86 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 C--N 1.354 0.797 0 CA-C-O 122.38 1.086 . . . . 0.0 112.26 174.769 . . . . . . . . 0 0 . 1 stop_ save_