data_2l5r_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 2l5r _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 ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 117.404 -1.284 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.349 1.431 . . . . 0.0 110.203 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -59.48 -45.38 91.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.059 0.845 . . . . 0.0 109.234 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -46.61 95.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.41 -60.77 2.61 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.08 -50.22 73.44 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.42 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -48.79 53.93 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.101 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.79 -61.6 7.25 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.526 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -34.12 76.9 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.233 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.4 -43.7 90.06 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.281 1.4 . . . . 0.0 111.278 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -76.59 -48.73 18.27 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 118.095 0.947 . . . . 0.0 110.624 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.29 -45.15 81.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.682 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.06 -38.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 119.455 1.025 . . . . 0.0 110.19 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -66.66 -55.33 15.71 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.94 68.32 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.641 -1.266 . . . . 0.0 112.631 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -84.89 -60.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.506 1.153 . . . . 0.0 108.699 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.13 77.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.187 -1.387 . . . . 0.0 111.455 -174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.93 -45.1 2.47 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.117 1.326 . . . . 0.0 111.907 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -57.3 -48.92 77.69 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.27 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.56 -68.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.73 72.86 9.8 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.144 0.884 . . . . 0.0 109.048 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.354 0.776 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.221 -0.407 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -106.51 -62.26 1.41 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.22 -46.25 54.48 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.453 1.024 . . . . 0.0 109.587 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -54.19 33.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.15 -61.0 2.77 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.206 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 -49.83 58.51 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.416 -170.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -46.13 71.88 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.664 1.12 . . . . 0.0 109.636 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.04 -59.28 10.15 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.928 -1.13 . . . . 0.0 110.384 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.1 -33.92 76.49 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.178 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.01 92.37 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-N 120.09 1.314 . . . . 0.0 111.616 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.7 t -75.43 -45.99 35.43 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.92 0.86 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.74 -43.04 76.72 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.798 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.44 -39.05 27.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 119.322 0.965 . . . . 0.0 109.784 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -59.37 -60.31 4.06 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.996 1.271 . . . . 0.0 107.622 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.79 -34.25 44.29 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.395 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.4 mt -93.43 -62.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.706 1.253 . . . . 0.0 109.203 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.86 85.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.067 -1.444 . . . . 0.0 111.503 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.19 -43.85 2.44 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.284 1.402 . . . . 0.0 111.786 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -59.84 -48.39 81.87 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.618 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.2 t -74.66 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 71.48 6.82 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.26 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -146.16 -56.54 0.29 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -53.12 -46.21 68.67 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.91 -46.3 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.449 -0.786 . . . . 0.0 108.906 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -63.39 -65.62 0.66 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.56 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -55.53 -47.98 75.42 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.346 0.975 . . . . 0.0 111.676 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.45 81.59 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.038 1.29 . . . . 0.0 109.479 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.19 -70.0 1.2 Allowed Glycine 0 C--N 1.351 1.402 0 C-N-CA 120.034 -1.079 . . . . 0.0 110.718 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.84 -33.59 71.97 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.018 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.38 -44.07 97.98 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 120.62 1.555 . . . . 0.0 110.901 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -74.4 -47.89 31.13 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 117.977 0.889 . . . . 0.0 110.551 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.28 -43.81 76.92 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.823 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.89 -38.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.718 1.145 . . . . 0.0 110.117 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.69 -53.86 24.17 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.69 -34.83 44.73 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.078 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.93 -62.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 118.55 1.175 . . . . 0.0 108.863 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.33 78.87 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 116.913 -1.518 . . . . 0.0 111.63 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.1 -45.1 1.91 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.402 1.455 . . . . 0.0 111.932 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -58.97 -47.29 85.66 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.525 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.81 -68.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.05 71.87 8.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.002 0.819 . . . . 0.0 109.237 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.353 0.741 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.717 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -137.26 -58.01 0.7 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.01 -46.25 43.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.321 1.419 . . . . 0.0 109.011 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -77.09 -52.07 17.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.757 0.708 . . . . 0.0 109.409 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.05 -57.27 12.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.13 0.877 . . . . 0.0 110.234 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -64.56 -52.93 55.09 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.328 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -47.62 66.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.559 1.072 . . . . 0.0 110.086 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.11 -59.85 8.35 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.5 -35.62 81.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.97 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.21 77.58 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.15 1.341 . . . . 0.0 111.597 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 t -75.98 -47.2 25.91 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 117.897 0.849 . . . . 0.0 110.175 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.41 -47.64 72.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.412 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.56 -37.82 15.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 119.333 0.97 . . . . 0.0 110.077 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.11 -59.65 5.07 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.58 -36.93 91.31 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 119.519 -1.324 . . . . 0.0 112.842 -175.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -80.15 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 118.522 1.161 . . . . 0.0 108.204 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.9 78.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.256 -1.354 . . . . 0.0 111.231 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.96 -45.23 3.73 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.185 1.357 . . . . 0.0 111.67 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.57 -48.89 78.12 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.088 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.79 -69.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.8 73.11 10.67 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.117 0.871 . . . . 0.0 109.063 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.886 176.347 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.593 -1.194 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -111.75 -59.24 2.01 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.07 -43.0 51.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.78 1.173 . . . . 0.0 108.413 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.76 -49.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.289 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -64.14 -63.65 1.09 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.844 1.202 . . . . 0.0 108.603 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -54.17 13.46 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.62 0.646 . . . . 0.0 110.998 -175.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -49.07 67.42 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.286 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.22 -64.17 4.64 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.488 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.367 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.78 -42.36 99.74 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 120.286 1.403 . . . . 0.0 111.316 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -76.79 -48.48 18.49 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 118.035 0.918 . . . . 0.0 110.064 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.23 -39.84 89.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.203 -173.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.38 -40.84 33.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 120.072 1.305 . . . . 0.0 109.782 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -63.65 -56.03 18.97 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.34 -35.25 27.55 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.362 -1.243 . . . . 0.0 113.476 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.0 mt -94.95 -61.88 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 118.662 1.231 . . . . 0.0 109.024 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.66 72.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.846 -1.55 . . . . 0.0 111.695 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.42 3.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.465 1.484 . . . . 0.0 112.235 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -55.85 -46.06 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.479 -0.889 . . . . 0.0 109.362 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -75.69 -61.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.761 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.631 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.49 75.24 1.05 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.711 0.687 . . . . 0.0 110.207 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.354 0.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.444 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -134.86 -55.77 0.82 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.993 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.63 -43.45 68.74 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.818 1.19 . . . . 0.0 107.877 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.02 -51.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.76 -59.09 5.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.318 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.63 -52.63 59.96 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.103 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.6 1.091 . . . . 0.0 110.392 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.46 -62.48 6.3 Favored Glycine 0 C--N 1.352 1.42 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.603 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.53 -34.68 78.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.597 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.33 -48.66 73.69 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 120.093 1.315 . . . . 0.0 110.656 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 t -70.96 -45.74 63.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.28 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.3 -54.73 15.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.958 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -46.71 -37.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.873 1.215 . . . . 0.0 110.547 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.26 -58.83 5.41 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.37 -35.12 83.72 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.191 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.8 mm -82.41 -59.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 118.919 1.359 . . . . 0.0 108.541 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.64 68.09 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.53 . . . . 0.0 111.451 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.01 -43.97 7.02 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.847 1.658 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -59.4 -46.82 87.61 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.49 -0.884 . . . . 0.0 108.765 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.449 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.39 61.97 1.44 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.905 0.775 . . . . 0.0 110.455 -175.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.354 0.763 0 CA-C-O 121.436 0.636 . . . . 0.0 112.387 173.18 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -109.56 -69.74 0.85 Allowed 'General case' 0 C--N 1.355 0.804 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -40.29 -49.06 2.72 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.316 0.962 . . . . 0.0 111.024 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.24 -47.65 80.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 119.713 -0.795 . . . . 0.0 108.894 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -64.33 -66.61 0.52 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.801 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -54.67 -37.59 65.92 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.816 -1.087 . . . . 0.0 112.856 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.21 -50.68 11.45 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.069 1.304 . . . . 0.0 109.231 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.35 -62.55 6.22 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.35 -34.41 77.66 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.518 -1.229 . . . . 0.0 109.765 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.29 95.46 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 120.375 1.443 . . . . 0.0 111.243 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -77.5 -48.64 16.57 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.978 0.889 . . . . 0.0 110.239 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.6 -44.62 86.05 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.568 -173.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -51.85 -37.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 119.693 1.133 . . . . 0.0 109.876 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 -55.66 14.64 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.81 -35.93 64.54 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.836 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -86.31 -61.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 118.598 1.199 . . . . 0.0 108.672 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.62 73.34 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.163 -1.399 . . . . 0.0 111.637 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.63 -43.83 2.91 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.366 1.439 . . . . 0.0 111.79 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -58.78 -49.38 77.87 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.6 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.19 -68.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.56 70.1 10.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.174 0.897 . . . . 0.0 109.403 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.353 0.731 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.104 176.452 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 118.823 -0.608 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -109.52 -52.39 2.78 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.794 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.67 -44.38 93.91 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.39 -51.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -63.03 -63.02 1.32 Allowed 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.96 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.43 -56.35 23.12 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.45 -169.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.24 86.88 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.558 1.072 . . . . 0.0 110.376 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.35 -63.95 4.77 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.556 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.93 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.38 -47.91 88.55 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.074 1.306 . . . . 0.0 110.314 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -68.35 -45.46 72.77 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.375 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.19 -53.5 19.7 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.965 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -49.17 -36.93 9.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 119.648 1.113 . . . . 0.0 110.411 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.18 -58.93 5.95 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.08 -37.48 94.54 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.652 -1.261 . . . . 0.0 112.894 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.78 -58.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 118.627 1.214 . . . . 0.0 108.524 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.12 72.19 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.205 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.82 -44.07 3.18 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.483 1.492 . . . . 0.0 111.555 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -59.08 -50.25 74.77 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.062 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -77.56 -67.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 72.55 7.73 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.1 0.864 . . . . 0.0 108.792 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.353 0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.101 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 117.457 -1.258 . . . . 0.0 112.645 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.62 -49.46 62.92 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.698 1.59 . . . . 0.0 109.377 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.096 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.11 -41.48 91.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.81 -67.93 0.4 Allowed 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -48.34 -55.67 10.1 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.114 0.87 . . . . 0.0 111.746 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -49.74 75.61 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.262 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.27 -67.78 1.95 Allowed Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.777 -175.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.13 -32.9 72.59 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.728 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.26 -44.26 98.32 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 120.39 1.45 . . . . 0.0 110.844 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 t -73.62 -44.91 55.77 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.892 0.846 . . . . 0.0 110.638 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.11 -45.39 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.709 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.48 -37.6 19.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 119.8 1.182 . . . . 0.0 109.657 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -60.27 -59.9 4.68 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.17 -36.13 80.81 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 119.629 -1.272 . . . . 0.0 113.206 -175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.9 mt -84.28 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.578 1.189 . . . . 0.0 108.556 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.32 74.69 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 116.884 -1.531 . . . . 0.0 111.475 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.12 -46.18 2.94 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.499 1.5 . . . . 0.0 112.096 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -57.71 -46.33 84.52 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.423 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.07 -68.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.8 71.27 7.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.048 0.84 . . . . 0.0 109.825 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.354 0.8 0 CA-C-O 121.538 0.685 . . . . 0.0 112.642 173.522 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.512 -0.51 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -118.55 -52.02 2.37 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.314 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -58.65 -44.65 90.16 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.205 1.366 . . . . 0.0 108.909 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.43 -53.34 37.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.76 -53.26 54.82 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.556 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -68.93 -51.9 34.89 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.62 -171.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.785 0.72 . . . . 0.0 110.226 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.61 7.37 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 120.22 -0.99 . . . . 0.0 110.723 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.16 -34.41 78.32 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.087 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.41 -43.86 76.75 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 120.009 1.277 . . . . 0.0 111.618 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -78.24 -48.66 15.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 117.928 0.864 . . . . 0.0 110.265 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.44 -42.07 92.81 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.141 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.95 -40.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.679 1.127 . . . . 0.0 109.832 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -62.73 -59.37 4.98 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.93 -34.2 22.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 118.351 -1.249 . . . . 0.0 113.58 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.5 mt -94.23 -62.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 118.744 1.272 . . . . 0.0 109.09 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -28.81 70.14 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.005 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.05 4.12 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.765 1.62 . . . . 0.0 111.601 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.305 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -76.6 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.353 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.58 61.77 2.73 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.002 0.819 . . . . 0.0 110.385 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.354 0.777 0 CA-C-O 121.561 0.696 . . . . 0.0 111.678 173.55 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 CA--C 1.512 -0.503 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -144.38 -55.84 0.35 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.771 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -53.78 -45.93 70.84 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 168.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.05 -53.26 39.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -62.24 -61.96 2.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.236 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -60.18 -47.25 86.73 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.851 -170.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.76 71.0 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.414 1.006 . . . . 0.0 109.752 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.52 -62.12 6.69 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.2 -32.85 72.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.905 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.51 -48.81 84.2 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 120.475 1.488 . . . . 0.0 111.04 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.6 t -71.5 -47.11 57.49 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.94 -48.43 68.62 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.435 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -52.67 -38.2 26.68 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 119.383 0.992 . . . . 0.0 109.854 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.38 -57.18 13.32 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 118.826 -1.149 . . . . 0.0 108.215 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.2 95.84 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 119.609 -1.281 . . . . 0.0 112.625 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.2 -59.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.51 70.6 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.47 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.48 -44.49 5.95 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.503 1.501 . . . . 0.0 111.248 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -59.16 -48.78 80.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.761 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.62 -69.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.67 73.32 10.27 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.134 0.879 . . . . 0.0 108.917 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.353 0.748 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.247 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -145.22 -59.34 0.35 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.994 -172.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.82 -44.53 90.89 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.49 -42.76 95.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -63.72 -66.76 0.5 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -49.47 -55.34 13.58 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.569 1.077 . . . . 0.0 111.567 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.37 77.98 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.234 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.34 -68.19 1.76 Allowed Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.093 -1.051 . . . . 0.0 110.864 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.74 -35.22 75.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.187 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.99 94.41 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 120.21 1.368 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -70.26 -46.13 65.0 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 117.934 0.867 . . . . 0.0 110.494 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.55 -52.63 24.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.176 -173.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -48.13 -36.57 6.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.602 1.092 . . . . 0.0 110.58 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.39 -58.78 6.42 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.1 94.15 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 119.756 -1.211 . . . . 0.0 112.917 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.11 -57.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 118.756 1.278 . . . . 0.0 108.049 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.54 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.23 -44.78 11.39 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 121.176 1.807 . . . . 0.0 110.559 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -61.96 -45.62 92.85 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.44 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -79.24 -68.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.36 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.38 69.87 6.99 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.959 0.8 . . . . 0.0 109.743 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 122.02 0.914 . . . . 0.0 111.519 174.036 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 CA--C 1.51 -0.562 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -133.89 -53.79 0.87 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.401 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -53.64 -47.84 69.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.345 1.429 . . . . 0.0 107.804 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -65.42 -50.22 73.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -66.12 -15.79 63.4 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.112 -1.423 . . . . 0.0 111.121 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -116.26 46.37 1.59 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 107.14 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.84 -56.53 0.04 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.71 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.96 -75.81 0.31 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 107.649 -2.181 . . . . 0.0 107.649 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.52 -32.91 70.73 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.687 1.243 . . . . 0.0 110.554 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.51 -47.35 91.57 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 119.867 1.212 . . . . 0.0 112.433 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -89.16 -48.28 7.5 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.109 0.955 . . . . 0.0 110.618 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.99 -41.54 78.63 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.221 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -50.08 -38.43 14.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 120.441 1.473 . . . . 0.0 109.831 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.08 -57.32 7.03 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.84 -35.48 68.32 Favored Glycine 0 C--N 1.352 1.439 0 C-N-CA 119.61 -1.281 . . . . 0.0 113.069 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.69 -59.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 118.551 1.175 . . . . 0.0 109.156 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.02 72.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.117 -1.42 . . . . 0.0 111.172 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.88 -43.57 6.45 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.407 1.458 . . . . 0.0 111.96 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.23 -44.79 88.4 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.411 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.16 -65.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.27 57.08 0.75 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.005 0.821 . . . . 0.0 111.114 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.53 0.681 . . . . 0.0 112.782 172.45 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.651 -0.69 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -104.94 -57.08 2.08 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.058 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -50.45 -44.26 55.48 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.156 0.889 . . . . 0.0 109.447 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.1 -46.43 84.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -66.73 -20.07 65.89 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 116.577 -1.678 . . . . 0.0 111.631 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -101.32 33.54 2.87 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 121.327 1.876 . . . . 0.0 110.308 171.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.69 -58.95 0.13 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 119.469 1.032 . . . . 0.0 110.713 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.83 -72.25 0.61 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.11 -17.63 58.52 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.166 -1.397 . . . . 0.0 112.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.38 -52.69 9.99 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 120.917 1.69 . . . . 0.0 111.568 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -86.53 -45.64 10.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 117.966 0.883 . . . . 0.0 111.34 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.85 -40.12 96.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.591 -1.195 . . . . 0.0 109.995 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.69 -39.43 23.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 120.045 1.293 . . . . 0.0 109.731 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.09 -55.56 24.33 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.582 -177.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.11 -39.29 97.03 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.58 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -72.35 -59.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.43 68.0 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.329 -177.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.29 -45.02 8.46 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 120.734 1.606 . . . . 0.0 111.062 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -59.48 -48.07 83.07 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.369 -0.932 . . . . 0.0 109.009 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.91 -68.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.178 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.98 68.47 6.19 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.895 0.77 . . . . 0.0 110.039 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.355 0.82 0 CA-C-O 121.595 0.712 . . . . 0.0 112.212 173.333 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -121.33 -53.77 2.01 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.467 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.73 -42.49 83.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.602 1.092 . . . . 0.0 108.249 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.51 -48.16 89.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.08 -21.49 66.82 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.488 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -106.19 48.19 0.85 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.079 1.309 . . . . 0.0 108.809 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.02 -59.34 0.06 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.197 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.88 -79.83 0.15 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.28 -28.18 69.54 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.565 1.183 . . . . 0.0 111.132 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -53.69 32.36 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 120.163 1.347 . . . . 0.0 112.182 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -86.13 -46.01 10.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.117 0.958 . . . . 0.0 111.258 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.64 -38.76 88.89 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.62 -172.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.48 -37.76 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 109.955 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.08 -56.66 11.75 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.54 -37.39 82.34 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.59 -1.29 . . . . 0.0 112.786 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -82.16 -61.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 118.503 1.152 . . . . 0.0 108.404 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.03 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.379 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.26 8.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.545 1.521 . . . . 0.0 111.649 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.44 -45.86 87.69 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.255 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -78.61 -67.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.16 54.82 0.76 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.065 0.848 . . . . 0.0 111.375 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.354 0.787 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 171.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -94.73 -53.06 4.01 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.314 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -51.21 -47.58 62.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.619 1.1 . . . . 0.0 109.093 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.92 -48.62 81.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.061 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.63 -14.93 63.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.114 -1.422 . . . . 0.0 110.683 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -115.55 41.41 2.5 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.668 1.576 . . . . 0.0 107.786 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 -57.27 0.07 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.103 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.06 -79.52 0.15 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.52 -31.9 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.881 1.34 . . . . 0.0 110.349 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.4 52.59 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 119.893 1.224 . . . . 0.0 112.493 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -87.03 -45.88 10.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.298 1.049 . . . . 0.0 111.259 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.6 -45.08 85.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.788 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.6 p -50.47 -36.87 14.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 CA-C-N 119.896 1.225 . . . . 0.0 110.366 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -62.84 -62.05 1.99 Allowed 'General case' 0 C--N 1.353 0.756 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.07 -37.08 94.08 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -72.09 -57.82 6.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 118.903 1.352 . . . . 0.0 107.946 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.05 68.41 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.135 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.63 -43.56 8.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.618 1.554 . . . . 0.0 110.897 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.321 -0.951 . . . . 0.0 108.871 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -76.58 -68.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.53 -0.747 . . . . 0.0 109.262 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 65.38 6.83 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.073 0.851 . . . . 0.0 110.006 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.935 0.874 . . . . 0.0 111.828 174.167 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.007 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -56.52 -45.29 81.19 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.734 1.152 . . . . 0.0 108.271 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -48.39 85.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -64.86 -21.26 66.77 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.389 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.27 45.38 0.98 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.762 1.165 . . . . 0.0 108.768 172.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.77 -59.33 0.06 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.345 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.72 -81.0 0.13 Allowed Glycine 0 C--N 1.354 1.57 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.88 -31.09 69.47 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.729 1.265 . . . . 0.0 110.682 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.65 -56.88 20.51 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 119.914 1.233 . . . . 0.0 112.034 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -83.34 -46.79 12.18 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.173 0.986 . . . . 0.0 111.491 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.58 -44.34 89.78 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.289 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.79 -39.93 15.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.812 1.187 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -69.03 -50.44 48.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.768 1.167 . . . . 0.0 109.654 -174.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.98 94.81 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 119.854 -1.165 . . . . 0.0 112.033 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mm -70.94 -54.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 118.588 1.194 . . . . 0.0 108.048 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.26 64.64 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.585 -1.674 . . . . 0.0 111.598 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -36.45 -53.35 0.86 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.654 1.57 . . . . 0.0 112.662 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -54.68 -53.69 51.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.111 0.869 . . . . 0.0 110.071 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.77 -58.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.928 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.21 73.07 1.51 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.818 0.735 . . . . 0.0 110.685 -173.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.354 0.792 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 172.564 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.81 -49.94 2.71 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.127 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -53.35 -45.0 68.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.947 1.249 . . . . 0.0 107.973 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.65 -51.74 63.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.15 -19.54 66.03 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.366 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -110.27 47.49 0.96 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.119 1.327 . . . . 0.0 107.775 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.67 -58.1 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.54 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.53 -79.01 0.18 Allowed Glycine 0 C--N 1.354 1.543 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.37 -29.4 67.66 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.504 1.152 . . . . 0.0 110.904 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.77 -55.45 24.72 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 120.084 1.311 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -83.51 -46.26 12.65 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.138 0.969 . . . . 0.0 111.317 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.15 -42.05 94.05 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.468 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.51 -38.01 20.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 119.956 1.253 . . . . 0.0 110.405 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.73 -51.71 63.74 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.52 1.055 . . . . 0.0 109.087 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.33 91.44 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 118.546 -1.141 . . . . 0.0 112.523 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.33 -55.7 11.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.9 1.35 . . . . 0.0 107.471 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.91 -18.16 55.01 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.779 -1.581 . . . . 0.0 112.171 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.33 -50.54 2.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.753 1.615 . . . . 0.0 111.385 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -64.61 -54.06 37.9 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.009 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.36 -59.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.946 -169.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.84 53.55 1.68 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.886 0.766 . . . . 0.0 110.574 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.162 0.506 . . . . 0.0 112.099 174.306 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.34 -55.65 1.84 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.834 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -59.07 -44.61 91.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -51.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.56 -19.8 66.07 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 117.48 -1.248 . . . . 0.0 110.517 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -108.71 43.21 1.27 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.341 1.428 . . . . 0.0 108.232 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.9 -57.24 0.06 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.833 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.16 -79.4 0.15 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 107.452 -2.259 . . . . 0.0 107.452 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.77 -32.4 69.26 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.772 1.286 . . . . 0.0 110.5 177.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.28 -49.96 72.9 Favored Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.54 1.064 . . . . 0.0 112.32 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -90.14 -47.2 7.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.245 1.022 . . . . 0.0 111.189 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.0 mt -56.29 -37.91 70.53 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.574 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -48.68 -40.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 120.301 1.409 . . . . 0.0 110.131 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.93 -55.23 15.52 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.122 1.328 . . . . 0.0 107.861 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -33.56 30.31 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.515 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mm -99.78 -59.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 118.749 1.275 . . . . 0.0 109.848 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.99 73.17 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.97 -1.49 . . . . 0.0 111.486 -174.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.59 -41.99 2.33 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.584 1.538 . . . . 0.0 111.521 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.09 -50.51 73.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.856 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -76.92 -67.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.53 72.0 7.41 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.037 0.835 . . . . 0.0 108.98 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.353 0.742 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -92.75 -49.81 5.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.573 1.078 . . . . 0.0 109.83 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.91 -42.13 79.37 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.178 0.899 . . . . 0.0 109.196 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.11 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.76 -22.28 66.95 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.731 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -102.39 40.73 1.31 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.866 1.212 . . . . 0.0 109.002 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.03 -58.93 0.07 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.652 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -80.34 0.12 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.63 -31.71 71.82 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 118.732 1.266 . . . . 0.0 110.553 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.44 -53.23 47.94 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-N 119.63 1.104 . . . . 0.0 112.309 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -90.08 -46.55 8.4 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.026 0.913 . . . . 0.0 111.62 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.54 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 p -49.15 -38.75 11.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.177 1.353 . . . . 0.0 110.105 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -65.91 -56.99 8.94 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.11 54.71 Favored Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.653 -1.26 . . . . 0.0 113.042 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.8 mt -88.41 -61.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 118.527 1.163 . . . . 0.0 108.788 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.34 72.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.679 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.82 4.21 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.478 1.49 . . . . 0.0 111.598 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -59.59 -45.99 90.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.389 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -76.72 -68.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.145 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.66 65.91 5.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.037 0.835 . . . . 0.0 110.087 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.354 0.784 0 CA-C-O 121.571 0.7 . . . . 0.0 112.274 174.04 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.616 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.05 -21.56 65.91 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.404 -1.284 . . . . 0.0 111.501 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.349 1.431 . . . . 0.0 110.203 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -59.48 -45.38 91.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.059 0.845 . . . . 0.0 109.234 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -46.61 95.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.41 -60.77 2.61 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.08 -50.22 73.44 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.42 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -48.79 53.93 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.101 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.79 -61.6 7.25 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.526 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -34.12 76.9 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.233 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.4 -43.7 90.06 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.281 1.4 . . . . 0.0 111.278 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -76.59 -48.73 18.27 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 118.095 0.947 . . . . 0.0 110.624 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.29 -45.15 81.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.682 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.06 -38.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 119.455 1.025 . . . . 0.0 110.19 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -66.66 -55.33 15.71 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.94 68.32 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.641 -1.266 . . . . 0.0 112.631 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -84.89 -60.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.506 1.153 . . . . 0.0 108.699 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.13 77.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.187 -1.387 . . . . 0.0 111.455 -174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.93 -45.1 2.47 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.117 1.326 . . . . 0.0 111.907 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -57.3 -48.92 77.69 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.27 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.56 -68.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.73 72.86 9.8 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.144 0.884 . . . . 0.0 109.048 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.354 0.776 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.672 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.24 44.49 2.94 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -106.51 -62.26 1.41 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.22 -46.25 54.48 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.453 1.024 . . . . 0.0 109.587 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -54.19 33.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.15 -61.0 2.77 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.206 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 -49.83 58.51 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.416 -170.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -46.13 71.88 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.664 1.12 . . . . 0.0 109.636 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.04 -59.28 10.15 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.928 -1.13 . . . . 0.0 110.384 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.1 -33.92 76.49 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.178 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.01 92.37 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-N 120.09 1.314 . . . . 0.0 111.616 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.7 t -75.43 -45.99 35.43 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.92 0.86 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.74 -43.04 76.72 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.798 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.44 -39.05 27.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 119.322 0.965 . . . . 0.0 109.784 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -59.37 -60.31 4.06 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.996 1.271 . . . . 0.0 107.622 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.79 -34.25 44.29 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.395 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.4 mt -93.43 -62.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.706 1.253 . . . . 0.0 109.203 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.86 85.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.067 -1.444 . . . . 0.0 111.503 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.19 -43.85 2.44 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.284 1.402 . . . . 0.0 111.786 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -59.84 -48.39 81.87 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.618 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.2 t -74.66 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 71.48 6.82 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.26 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.632 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mt -106.62 53.61 0.69 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -146.16 -56.54 0.29 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -53.12 -46.21 68.67 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.91 -46.3 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.449 -0.786 . . . . 0.0 108.906 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -63.39 -65.62 0.66 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.56 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -55.53 -47.98 75.42 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.346 0.975 . . . . 0.0 111.676 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.45 81.59 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.038 1.29 . . . . 0.0 109.479 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.19 -70.0 1.2 Allowed Glycine 0 C--N 1.351 1.402 0 C-N-CA 120.034 -1.079 . . . . 0.0 110.718 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.84 -33.59 71.97 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.018 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.38 -44.07 97.98 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 120.62 1.555 . . . . 0.0 110.901 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -74.4 -47.89 31.13 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 117.977 0.889 . . . . 0.0 110.551 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.28 -43.81 76.92 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.823 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.89 -38.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.718 1.145 . . . . 0.0 110.117 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.69 -53.86 24.17 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.69 -34.83 44.73 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.078 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.93 -62.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 118.55 1.175 . . . . 0.0 108.863 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.33 78.87 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 116.913 -1.518 . . . . 0.0 111.63 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.1 -45.1 1.91 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.402 1.455 . . . . 0.0 111.932 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -58.97 -47.29 85.66 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.525 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.81 -68.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.05 71.87 8.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.002 0.819 . . . . 0.0 109.237 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.353 0.741 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.717 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.311 -1.272 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mt 56.74 53.21 8.56 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.258 1.029 . . . . 0.0 108.666 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -137.26 -58.01 0.7 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.01 -46.25 43.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.321 1.419 . . . . 0.0 109.011 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -77.09 -52.07 17.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.757 0.708 . . . . 0.0 109.409 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.05 -57.27 12.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.13 0.877 . . . . 0.0 110.234 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -64.56 -52.93 55.09 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.328 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -47.62 66.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.559 1.072 . . . . 0.0 110.086 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.11 -59.85 8.35 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.5 -35.62 81.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.97 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.21 77.58 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.15 1.341 . . . . 0.0 111.597 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 t -75.98 -47.2 25.91 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 117.897 0.849 . . . . 0.0 110.175 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.41 -47.64 72.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.412 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.56 -37.82 15.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 119.333 0.97 . . . . 0.0 110.077 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.11 -59.65 5.07 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.58 -36.93 91.31 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 119.519 -1.324 . . . . 0.0 112.842 -175.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -80.15 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 118.522 1.161 . . . . 0.0 108.204 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.9 78.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.256 -1.354 . . . . 0.0 111.231 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.96 -45.23 3.73 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.185 1.357 . . . . 0.0 111.67 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.57 -48.89 78.12 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.088 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.79 -69.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.8 73.11 10.67 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.117 0.871 . . . . 0.0 109.063 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.886 176.347 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.6 mt -111.35 22.48 15.1 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.593 -1.194 . . . . 0.0 110.907 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -111.75 -59.24 2.01 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.07 -43.0 51.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.78 1.173 . . . . 0.0 108.413 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.76 -49.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.289 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -64.14 -63.65 1.09 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.844 1.202 . . . . 0.0 108.603 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -54.17 13.46 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.62 0.646 . . . . 0.0 110.998 -175.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -49.07 67.42 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.286 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.22 -64.17 4.64 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.488 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.367 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.78 -42.36 99.74 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 120.286 1.403 . . . . 0.0 111.316 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -76.79 -48.48 18.49 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 118.035 0.918 . . . . 0.0 110.064 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.23 -39.84 89.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.203 -173.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.38 -40.84 33.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 120.072 1.305 . . . . 0.0 109.782 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -63.65 -56.03 18.97 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.34 -35.25 27.55 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.362 -1.243 . . . . 0.0 113.476 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.0 mt -94.95 -61.88 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 118.662 1.231 . . . . 0.0 109.024 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.66 72.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.846 -1.55 . . . . 0.0 111.695 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.42 3.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.465 1.484 . . . . 0.0 112.235 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -55.85 -46.06 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.479 -0.889 . . . . 0.0 109.362 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -75.69 -61.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.761 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.631 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.49 75.24 1.05 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.711 0.687 . . . . 0.0 110.207 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.354 0.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.444 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 tp -125.08 61.78 1.18 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -134.86 -55.77 0.82 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.993 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.63 -43.45 68.74 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.818 1.19 . . . . 0.0 107.877 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.02 -51.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.76 -59.09 5.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.318 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.63 -52.63 59.96 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.103 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.6 1.091 . . . . 0.0 110.392 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.46 -62.48 6.3 Favored Glycine 0 C--N 1.352 1.42 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.603 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.53 -34.68 78.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.597 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.33 -48.66 73.69 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 120.093 1.315 . . . . 0.0 110.656 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 t -70.96 -45.74 63.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.28 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.3 -54.73 15.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.958 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -46.71 -37.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.873 1.215 . . . . 0.0 110.547 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.26 -58.83 5.41 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.37 -35.12 83.72 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.191 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.8 mm -82.41 -59.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 118.919 1.359 . . . . 0.0 108.541 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.64 68.09 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.53 . . . . 0.0 111.451 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.01 -43.97 7.02 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.847 1.658 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -59.4 -46.82 87.61 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.49 -0.884 . . . . 0.0 108.765 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.449 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.39 61.97 1.44 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.905 0.775 . . . . 0.0 110.455 -175.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.354 0.763 0 CA-C-O 121.436 0.636 . . . . 0.0 112.387 173.18 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.694 0 CA-C-O 118.572 -1.126 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -113.04 40.39 2.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 117.624 0.712 . . . . 0.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -109.56 -69.74 0.85 Allowed 'General case' 0 C--N 1.355 0.804 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -40.29 -49.06 2.72 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.316 0.962 . . . . 0.0 111.024 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.24 -47.65 80.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 119.713 -0.795 . . . . 0.0 108.894 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -64.33 -66.61 0.52 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.801 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -54.67 -37.59 65.92 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.816 -1.087 . . . . 0.0 112.856 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.21 -50.68 11.45 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.069 1.304 . . . . 0.0 109.231 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.35 -62.55 6.22 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.35 -34.41 77.66 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.518 -1.229 . . . . 0.0 109.765 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.29 95.46 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 120.375 1.443 . . . . 0.0 111.243 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -77.5 -48.64 16.57 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.978 0.889 . . . . 0.0 110.239 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.6 -44.62 86.05 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.568 -173.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -51.85 -37.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 119.693 1.133 . . . . 0.0 109.876 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 -55.66 14.64 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.81 -35.93 64.54 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.836 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -86.31 -61.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 118.598 1.199 . . . . 0.0 108.672 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.62 73.34 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.163 -1.399 . . . . 0.0 111.637 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.63 -43.83 2.91 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.366 1.439 . . . . 0.0 111.79 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -58.78 -49.38 77.87 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.6 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.19 -68.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.56 70.1 10.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.174 0.897 . . . . 0.0 109.403 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.353 0.731 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.104 176.452 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.651 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.57 39.61 0.56 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.342 1.571 . . . . 0.0 111.507 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -109.52 -52.39 2.78 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.794 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.67 -44.38 93.91 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.39 -51.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -63.03 -63.02 1.32 Allowed 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.96 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.43 -56.35 23.12 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.45 -169.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.24 86.88 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.558 1.072 . . . . 0.0 110.376 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.35 -63.95 4.77 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.556 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.93 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.38 -47.91 88.55 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.074 1.306 . . . . 0.0 110.314 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -68.35 -45.46 72.77 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.375 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.19 -53.5 19.7 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.965 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -49.17 -36.93 9.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 119.648 1.113 . . . . 0.0 110.411 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.18 -58.93 5.95 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.08 -37.48 94.54 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.652 -1.261 . . . . 0.0 112.894 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.78 -58.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 118.627 1.214 . . . . 0.0 108.524 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.12 72.19 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.205 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.82 -44.07 3.18 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.483 1.492 . . . . 0.0 111.555 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -59.08 -50.25 74.77 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.062 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -77.56 -67.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 72.55 7.73 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.1 0.864 . . . . 0.0 108.792 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.353 0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.101 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.682 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.27 -9.39 58.53 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.457 -1.258 . . . . 0.0 112.645 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.62 -49.46 62.92 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.698 1.59 . . . . 0.0 109.377 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.096 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.11 -41.48 91.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.81 -67.93 0.4 Allowed 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -48.34 -55.67 10.1 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.114 0.87 . . . . 0.0 111.746 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -49.74 75.61 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.262 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.27 -67.78 1.95 Allowed Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.777 -175.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.13 -32.9 72.59 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.728 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.26 -44.26 98.32 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 120.39 1.45 . . . . 0.0 110.844 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 t -73.62 -44.91 55.77 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.892 0.846 . . . . 0.0 110.638 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.11 -45.39 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.709 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.48 -37.6 19.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 119.8 1.182 . . . . 0.0 109.657 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -60.27 -59.9 4.68 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.17 -36.13 80.81 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 119.629 -1.272 . . . . 0.0 113.206 -175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.9 mt -84.28 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.578 1.189 . . . . 0.0 108.556 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.32 74.69 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 116.884 -1.531 . . . . 0.0 111.475 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.12 -46.18 2.94 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.499 1.5 . . . . 0.0 112.096 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -57.71 -46.33 84.52 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.423 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.07 -68.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.8 71.27 7.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.048 0.84 . . . . 0.0 109.825 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.354 0.8 0 CA-C-O 121.538 0.685 . . . . 0.0 112.642 173.522 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.648 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 mt 50.01 44.59 25.62 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 117.736 0.768 . . . . 0.0 109.885 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -118.55 -52.02 2.37 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.314 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -58.65 -44.65 90.16 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.205 1.366 . . . . 0.0 108.909 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.43 -53.34 37.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.76 -53.26 54.82 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.556 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -68.93 -51.9 34.89 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.62 -171.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.785 0.72 . . . . 0.0 110.226 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.61 7.37 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 120.22 -0.99 . . . . 0.0 110.723 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.16 -34.41 78.32 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.087 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.41 -43.86 76.75 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 120.009 1.277 . . . . 0.0 111.618 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -78.24 -48.66 15.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 117.928 0.864 . . . . 0.0 110.265 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.44 -42.07 92.81 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.141 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.95 -40.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.679 1.127 . . . . 0.0 109.832 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -62.73 -59.37 4.98 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.93 -34.2 22.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 118.351 -1.249 . . . . 0.0 113.58 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.5 mt -94.23 -62.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 118.744 1.272 . . . . 0.0 109.09 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -28.81 70.14 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.005 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.05 4.12 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.765 1.62 . . . . 0.0 111.601 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.305 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -76.6 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.353 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.58 61.77 2.73 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.002 0.819 . . . . 0.0 110.385 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.354 0.777 0 CA-C-O 121.561 0.696 . . . . 0.0 111.678 173.55 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.662 0 CA-C-O 118.797 -1.002 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 mt -116.1 51.51 0.96 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -144.38 -55.84 0.35 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.771 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -53.78 -45.93 70.84 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 168.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.05 -53.26 39.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -62.24 -61.96 2.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.236 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -60.18 -47.25 86.73 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.851 -170.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.76 71.0 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.414 1.006 . . . . 0.0 109.752 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.52 -62.12 6.69 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.2 -32.85 72.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.905 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.51 -48.81 84.2 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 120.475 1.488 . . . . 0.0 111.04 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.6 t -71.5 -47.11 57.49 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.94 -48.43 68.62 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.435 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -52.67 -38.2 26.68 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 119.383 0.992 . . . . 0.0 109.854 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.38 -57.18 13.32 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 118.826 -1.149 . . . . 0.0 108.215 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.2 95.84 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 119.609 -1.281 . . . . 0.0 112.625 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.2 -59.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.51 70.6 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.47 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.48 -44.49 5.95 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.503 1.501 . . . . 0.0 111.248 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -59.16 -48.78 80.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.761 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.62 -69.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.67 73.32 10.27 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.134 0.879 . . . . 0.0 108.917 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.353 0.748 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.247 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 118.39 -1.228 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt 51.35 49.46 20.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.256 1.028 . . . . 0.0 108.606 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -145.22 -59.34 0.35 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.994 -172.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.82 -44.53 90.89 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.49 -42.76 95.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -63.72 -66.76 0.5 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -49.47 -55.34 13.58 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.569 1.077 . . . . 0.0 111.567 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.37 77.98 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.234 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.34 -68.19 1.76 Allowed Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.093 -1.051 . . . . 0.0 110.864 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.74 -35.22 75.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.187 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.99 94.41 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 120.21 1.368 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -70.26 -46.13 65.0 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 117.934 0.867 . . . . 0.0 110.494 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.55 -52.63 24.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.176 -173.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -48.13 -36.57 6.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.602 1.092 . . . . 0.0 110.58 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.39 -58.78 6.42 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.1 94.15 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 119.756 -1.211 . . . . 0.0 112.917 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.11 -57.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 118.756 1.278 . . . . 0.0 108.049 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.54 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.23 -44.78 11.39 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 121.176 1.807 . . . . 0.0 110.559 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -61.96 -45.62 92.85 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.44 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -79.24 -68.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.36 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.38 69.87 6.99 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.959 0.8 . . . . 0.0 109.743 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 122.02 0.914 . . . . 0.0 111.519 174.036 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.703 0 CA-C-O 118.689 -1.062 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt -115.74 54.75 0.8 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -133.89 -53.79 0.87 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.401 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -53.64 -47.84 69.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.345 1.429 . . . . 0.0 107.804 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -65.42 -50.22 73.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -66.12 -15.79 63.4 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.112 -1.423 . . . . 0.0 111.121 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -116.26 46.37 1.59 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 107.14 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.84 -56.53 0.04 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.71 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.96 -75.81 0.31 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 107.649 -2.181 . . . . 0.0 107.649 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.52 -32.91 70.73 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.687 1.243 . . . . 0.0 110.554 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.51 -47.35 91.57 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 119.867 1.212 . . . . 0.0 112.433 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -89.16 -48.28 7.5 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.109 0.955 . . . . 0.0 110.618 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.99 -41.54 78.63 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.221 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -50.08 -38.43 14.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 120.441 1.473 . . . . 0.0 109.831 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.08 -57.32 7.03 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.84 -35.48 68.32 Favored Glycine 0 C--N 1.352 1.439 0 C-N-CA 119.61 -1.281 . . . . 0.0 113.069 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.69 -59.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 118.551 1.175 . . . . 0.0 109.156 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.02 72.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.117 -1.42 . . . . 0.0 111.172 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.88 -43.57 6.45 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.407 1.458 . . . . 0.0 111.96 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.23 -44.79 88.4 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.411 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.16 -65.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.27 57.08 0.75 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.005 0.821 . . . . 0.0 111.114 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.53 0.681 . . . . 0.0 112.782 172.45 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 CA-C-O 118.16 -1.356 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.3 mt 49.03 36.49 8.67 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.739 1.269 . . . . 0.0 110.806 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -104.94 -57.08 2.08 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.058 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -50.45 -44.26 55.48 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.156 0.889 . . . . 0.0 109.447 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.1 -46.43 84.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -66.73 -20.07 65.89 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 116.577 -1.678 . . . . 0.0 111.631 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -101.32 33.54 2.87 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 121.327 1.876 . . . . 0.0 110.308 171.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.69 -58.95 0.13 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 119.469 1.032 . . . . 0.0 110.713 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.83 -72.25 0.61 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.11 -17.63 58.52 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.166 -1.397 . . . . 0.0 112.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.38 -52.69 9.99 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 120.917 1.69 . . . . 0.0 111.568 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -86.53 -45.64 10.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 117.966 0.883 . . . . 0.0 111.34 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.85 -40.12 96.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.591 -1.195 . . . . 0.0 109.995 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.69 -39.43 23.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 120.045 1.293 . . . . 0.0 109.731 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.09 -55.56 24.33 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.582 -177.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.11 -39.29 97.03 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.58 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -72.35 -59.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.43 68.0 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.329 -177.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.29 -45.02 8.46 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 120.734 1.606 . . . . 0.0 111.062 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -59.48 -48.07 83.07 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.369 -0.932 . . . . 0.0 109.009 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.91 -68.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.178 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.98 68.47 6.19 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.895 0.77 . . . . 0.0 110.039 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.355 0.82 0 CA-C-O 121.595 0.712 . . . . 0.0 112.212 173.333 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.651 0 CA-C-O 117.698 -1.612 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt 52.66 42.57 31.64 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.293 1.546 . . . . 0.0 109.751 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -121.33 -53.77 2.01 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.467 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.73 -42.49 83.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.602 1.092 . . . . 0.0 108.249 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.51 -48.16 89.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.08 -21.49 66.82 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.488 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -106.19 48.19 0.85 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.079 1.309 . . . . 0.0 108.809 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.02 -59.34 0.06 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.197 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.88 -79.83 0.15 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.28 -28.18 69.54 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.565 1.183 . . . . 0.0 111.132 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -53.69 32.36 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 120.163 1.347 . . . . 0.0 112.182 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -86.13 -46.01 10.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.117 0.958 . . . . 0.0 111.258 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.64 -38.76 88.89 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.62 -172.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.48 -37.76 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 109.955 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.08 -56.66 11.75 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.54 -37.39 82.34 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.59 -1.29 . . . . 0.0 112.786 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -82.16 -61.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 118.503 1.152 . . . . 0.0 108.404 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.03 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.379 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.26 8.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.545 1.521 . . . . 0.0 111.649 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.44 -45.86 87.69 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.255 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -78.61 -67.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.16 54.82 0.76 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.065 0.848 . . . . 0.0 111.375 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.354 0.787 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 171.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.641 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.95 33.26 0.67 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.226 1.013 . . . . 0.0 112.519 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -94.73 -53.06 4.01 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.314 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -51.21 -47.58 62.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.619 1.1 . . . . 0.0 109.093 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.92 -48.62 81.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.061 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.63 -14.93 63.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.114 -1.422 . . . . 0.0 110.683 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -115.55 41.41 2.5 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.668 1.576 . . . . 0.0 107.786 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 -57.27 0.07 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.103 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.06 -79.52 0.15 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.52 -31.9 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.881 1.34 . . . . 0.0 110.349 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.4 52.59 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 119.893 1.224 . . . . 0.0 112.493 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -87.03 -45.88 10.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.298 1.049 . . . . 0.0 111.259 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.6 -45.08 85.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.788 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.6 p -50.47 -36.87 14.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 CA-C-N 119.896 1.225 . . . . 0.0 110.366 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -62.84 -62.05 1.99 Allowed 'General case' 0 C--N 1.353 0.756 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.07 -37.08 94.08 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -72.09 -57.82 6.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 118.903 1.352 . . . . 0.0 107.946 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.05 68.41 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.135 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.63 -43.56 8.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.618 1.554 . . . . 0.0 110.897 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.321 -0.951 . . . . 0.0 108.871 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -76.58 -68.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.53 -0.747 . . . . 0.0 109.262 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 65.38 6.83 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.073 0.851 . . . . 0.0 110.006 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.935 0.874 . . . . 0.0 111.828 174.167 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.928 -0.929 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.4 mt -114.85 54.73 0.77 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.007 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -56.52 -45.29 81.19 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.734 1.152 . . . . 0.0 108.271 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -48.39 85.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -64.86 -21.26 66.77 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.389 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.27 45.38 0.98 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.762 1.165 . . . . 0.0 108.768 172.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.77 -59.33 0.06 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.345 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.72 -81.0 0.13 Allowed Glycine 0 C--N 1.354 1.57 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.88 -31.09 69.47 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.729 1.265 . . . . 0.0 110.682 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.65 -56.88 20.51 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 119.914 1.233 . . . . 0.0 112.034 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -83.34 -46.79 12.18 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.173 0.986 . . . . 0.0 111.491 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.58 -44.34 89.78 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.289 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.79 -39.93 15.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.812 1.187 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -69.03 -50.44 48.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.768 1.167 . . . . 0.0 109.654 -174.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.98 94.81 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 119.854 -1.165 . . . . 0.0 112.033 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mm -70.94 -54.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 118.588 1.194 . . . . 0.0 108.048 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.26 64.64 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.585 -1.674 . . . . 0.0 111.598 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -36.45 -53.35 0.86 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.654 1.57 . . . . 0.0 112.662 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -54.68 -53.69 51.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.111 0.869 . . . . 0.0 110.071 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.77 -58.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.928 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.21 73.07 1.51 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.818 0.735 . . . . 0.0 110.685 -173.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.354 0.792 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 172.564 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.72 41.21 0.85 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 117.766 0.783 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.81 -49.94 2.71 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.127 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -53.35 -45.0 68.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.947 1.249 . . . . 0.0 107.973 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.65 -51.74 63.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.15 -19.54 66.03 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.366 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -110.27 47.49 0.96 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.119 1.327 . . . . 0.0 107.775 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.67 -58.1 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.54 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.53 -79.01 0.18 Allowed Glycine 0 C--N 1.354 1.543 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.37 -29.4 67.66 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.504 1.152 . . . . 0.0 110.904 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.77 -55.45 24.72 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 120.084 1.311 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -83.51 -46.26 12.65 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.138 0.969 . . . . 0.0 111.317 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.15 -42.05 94.05 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.468 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.51 -38.01 20.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 119.956 1.253 . . . . 0.0 110.405 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.73 -51.71 63.74 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.52 1.055 . . . . 0.0 109.087 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.33 91.44 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 118.546 -1.141 . . . . 0.0 112.523 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.33 -55.7 11.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.9 1.35 . . . . 0.0 107.471 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.91 -18.16 55.01 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.779 -1.581 . . . . 0.0 112.171 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.33 -50.54 2.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.753 1.615 . . . . 0.0 111.385 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -64.61 -54.06 37.9 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.009 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.36 -59.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.946 -169.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.84 53.55 1.68 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.886 0.766 . . . . 0.0 110.574 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.162 0.506 . . . . 0.0 112.099 174.306 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.57 49.28 0.68 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 117.73 0.765 . . . . 0.0 109.466 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.34 -55.65 1.84 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.834 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -59.07 -44.61 91.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -51.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.56 -19.8 66.07 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 117.48 -1.248 . . . . 0.0 110.517 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -108.71 43.21 1.27 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.341 1.428 . . . . 0.0 108.232 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.9 -57.24 0.06 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.833 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.16 -79.4 0.15 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 107.452 -2.259 . . . . 0.0 107.452 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.77 -32.4 69.26 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.772 1.286 . . . . 0.0 110.5 177.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.28 -49.96 72.9 Favored Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.54 1.064 . . . . 0.0 112.32 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -90.14 -47.2 7.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.245 1.022 . . . . 0.0 111.189 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.0 mt -56.29 -37.91 70.53 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.574 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -48.68 -40.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 120.301 1.409 . . . . 0.0 110.131 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.93 -55.23 15.52 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.122 1.328 . . . . 0.0 107.861 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -33.56 30.31 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.515 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mm -99.78 -59.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 118.749 1.275 . . . . 0.0 109.848 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.99 73.17 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.97 -1.49 . . . . 0.0 111.486 -174.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.59 -41.99 2.33 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.584 1.538 . . . . 0.0 111.521 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.09 -50.51 73.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.856 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -76.92 -67.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.53 72.0 7.41 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.037 0.835 . . . . 0.0 108.98 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.353 0.742 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 CA-C-O 118.854 -0.97 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt 53.63 24.59 4.32 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.703 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -92.75 -49.81 5.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.573 1.078 . . . . 0.0 109.83 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.91 -42.13 79.37 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.178 0.899 . . . . 0.0 109.196 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.11 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.76 -22.28 66.95 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.731 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -102.39 40.73 1.31 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.866 1.212 . . . . 0.0 109.002 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.03 -58.93 0.07 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.652 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -80.34 0.12 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.63 -31.71 71.82 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 118.732 1.266 . . . . 0.0 110.553 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.44 -53.23 47.94 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-N 119.63 1.104 . . . . 0.0 112.309 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -90.08 -46.55 8.4 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.026 0.913 . . . . 0.0 111.62 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.54 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 p -49.15 -38.75 11.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.177 1.353 . . . . 0.0 110.105 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -65.91 -56.99 8.94 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.11 54.71 Favored Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.653 -1.26 . . . . 0.0 113.042 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.8 mt -88.41 -61.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 118.527 1.163 . . . . 0.0 108.788 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.34 72.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.679 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.82 4.21 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.478 1.49 . . . . 0.0 111.598 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -59.59 -45.99 90.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.389 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -76.72 -68.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.145 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.66 65.91 5.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.037 0.835 . . . . 0.0 110.087 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.354 0.784 0 CA-C-O 121.571 0.7 . . . . 0.0 112.274 174.04 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 117.404 -1.284 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.349 1.431 . . . . 0.0 110.203 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -59.48 -45.38 91.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.059 0.845 . . . . 0.0 109.234 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -46.61 95.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.41 -60.77 2.61 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.08 -50.22 73.44 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.42 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -48.79 53.93 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.101 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.79 -61.6 7.25 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.526 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -34.12 76.9 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.233 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.4 -43.7 90.06 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.281 1.4 . . . . 0.0 111.278 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -76.59 -48.73 18.27 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 118.095 0.947 . . . . 0.0 110.624 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.29 -45.15 81.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.682 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.06 -38.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 119.455 1.025 . . . . 0.0 110.19 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -66.66 -55.33 15.71 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.94 68.32 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.641 -1.266 . . . . 0.0 112.631 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -84.89 -60.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.506 1.153 . . . . 0.0 108.699 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.13 77.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.187 -1.387 . . . . 0.0 111.455 -174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.93 -45.1 2.47 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.117 1.326 . . . . 0.0 111.907 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -57.3 -48.92 77.69 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.27 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.56 -68.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.73 72.86 9.8 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.144 0.884 . . . . 0.0 109.048 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.354 0.776 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.221 -0.407 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -106.51 -62.26 1.41 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.22 -46.25 54.48 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.453 1.024 . . . . 0.0 109.587 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -54.19 33.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.15 -61.0 2.77 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.206 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 -49.83 58.51 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.416 -170.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -46.13 71.88 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.664 1.12 . . . . 0.0 109.636 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.04 -59.28 10.15 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.928 -1.13 . . . . 0.0 110.384 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.1 -33.92 76.49 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.178 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.01 92.37 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-N 120.09 1.314 . . . . 0.0 111.616 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.7 t -75.43 -45.99 35.43 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.92 0.86 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.74 -43.04 76.72 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.798 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.44 -39.05 27.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 119.322 0.965 . . . . 0.0 109.784 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -59.37 -60.31 4.06 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.996 1.271 . . . . 0.0 107.622 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.79 -34.25 44.29 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.395 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.4 mt -93.43 -62.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.706 1.253 . . . . 0.0 109.203 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.86 85.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.067 -1.444 . . . . 0.0 111.503 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.19 -43.85 2.44 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.284 1.402 . . . . 0.0 111.786 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -59.84 -48.39 81.87 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.618 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.2 t -74.66 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 71.48 6.82 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.26 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -146.16 -56.54 0.29 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -53.12 -46.21 68.67 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.91 -46.3 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.449 -0.786 . . . . 0.0 108.906 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -63.39 -65.62 0.66 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.56 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -55.53 -47.98 75.42 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.346 0.975 . . . . 0.0 111.676 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.45 81.59 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.038 1.29 . . . . 0.0 109.479 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.19 -70.0 1.2 Allowed Glycine 0 C--N 1.351 1.402 0 C-N-CA 120.034 -1.079 . . . . 0.0 110.718 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.84 -33.59 71.97 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.018 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.38 -44.07 97.98 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 120.62 1.555 . . . . 0.0 110.901 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -74.4 -47.89 31.13 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 117.977 0.889 . . . . 0.0 110.551 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.28 -43.81 76.92 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.823 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.89 -38.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.718 1.145 . . . . 0.0 110.117 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.69 -53.86 24.17 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.69 -34.83 44.73 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.078 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.93 -62.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 118.55 1.175 . . . . 0.0 108.863 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.33 78.87 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 116.913 -1.518 . . . . 0.0 111.63 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.1 -45.1 1.91 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.402 1.455 . . . . 0.0 111.932 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -58.97 -47.29 85.66 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.525 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.81 -68.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.05 71.87 8.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.002 0.819 . . . . 0.0 109.237 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.353 0.741 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.717 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -137.26 -58.01 0.7 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.01 -46.25 43.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.321 1.419 . . . . 0.0 109.011 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -77.09 -52.07 17.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.757 0.708 . . . . 0.0 109.409 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.05 -57.27 12.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.13 0.877 . . . . 0.0 110.234 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -64.56 -52.93 55.09 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.328 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -47.62 66.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.559 1.072 . . . . 0.0 110.086 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.11 -59.85 8.35 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.5 -35.62 81.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.97 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.21 77.58 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.15 1.341 . . . . 0.0 111.597 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 t -75.98 -47.2 25.91 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 117.897 0.849 . . . . 0.0 110.175 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.41 -47.64 72.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.412 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.56 -37.82 15.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 119.333 0.97 . . . . 0.0 110.077 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.11 -59.65 5.07 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.58 -36.93 91.31 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 119.519 -1.324 . . . . 0.0 112.842 -175.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -80.15 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 118.522 1.161 . . . . 0.0 108.204 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.9 78.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.256 -1.354 . . . . 0.0 111.231 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.96 -45.23 3.73 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.185 1.357 . . . . 0.0 111.67 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.57 -48.89 78.12 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.088 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.79 -69.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.8 73.11 10.67 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.117 0.871 . . . . 0.0 109.063 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.886 176.347 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.593 -1.194 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -111.75 -59.24 2.01 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.07 -43.0 51.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.78 1.173 . . . . 0.0 108.413 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.76 -49.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.289 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -64.14 -63.65 1.09 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.844 1.202 . . . . 0.0 108.603 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -54.17 13.46 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.62 0.646 . . . . 0.0 110.998 -175.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -49.07 67.42 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.286 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.22 -64.17 4.64 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.488 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.367 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.78 -42.36 99.74 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 120.286 1.403 . . . . 0.0 111.316 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -76.79 -48.48 18.49 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 118.035 0.918 . . . . 0.0 110.064 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.23 -39.84 89.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.203 -173.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.38 -40.84 33.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 120.072 1.305 . . . . 0.0 109.782 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -63.65 -56.03 18.97 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.34 -35.25 27.55 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.362 -1.243 . . . . 0.0 113.476 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.0 mt -94.95 -61.88 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 118.662 1.231 . . . . 0.0 109.024 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.66 72.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.846 -1.55 . . . . 0.0 111.695 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.42 3.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.465 1.484 . . . . 0.0 112.235 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -55.85 -46.06 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.479 -0.889 . . . . 0.0 109.362 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -75.69 -61.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.761 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.631 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.49 75.24 1.05 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.711 0.687 . . . . 0.0 110.207 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.354 0.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.444 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -134.86 -55.77 0.82 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.993 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.63 -43.45 68.74 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.818 1.19 . . . . 0.0 107.877 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.02 -51.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.76 -59.09 5.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.318 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.63 -52.63 59.96 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.103 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.6 1.091 . . . . 0.0 110.392 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.46 -62.48 6.3 Favored Glycine 0 C--N 1.352 1.42 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.603 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.53 -34.68 78.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.597 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.33 -48.66 73.69 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 120.093 1.315 . . . . 0.0 110.656 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 t -70.96 -45.74 63.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.28 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.3 -54.73 15.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.958 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -46.71 -37.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.873 1.215 . . . . 0.0 110.547 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.26 -58.83 5.41 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.37 -35.12 83.72 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.191 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.8 mm -82.41 -59.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 118.919 1.359 . . . . 0.0 108.541 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.64 68.09 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.53 . . . . 0.0 111.451 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.01 -43.97 7.02 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.847 1.658 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -59.4 -46.82 87.61 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.49 -0.884 . . . . 0.0 108.765 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.449 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.39 61.97 1.44 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.905 0.775 . . . . 0.0 110.455 -175.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.354 0.763 0 CA-C-O 121.436 0.636 . . . . 0.0 112.387 173.18 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -109.56 -69.74 0.85 Allowed 'General case' 0 C--N 1.355 0.804 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -40.29 -49.06 2.72 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.316 0.962 . . . . 0.0 111.024 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.24 -47.65 80.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 119.713 -0.795 . . . . 0.0 108.894 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -64.33 -66.61 0.52 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.801 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -54.67 -37.59 65.92 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.816 -1.087 . . . . 0.0 112.856 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.21 -50.68 11.45 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.069 1.304 . . . . 0.0 109.231 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.35 -62.55 6.22 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.35 -34.41 77.66 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.518 -1.229 . . . . 0.0 109.765 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.29 95.46 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 120.375 1.443 . . . . 0.0 111.243 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -77.5 -48.64 16.57 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.978 0.889 . . . . 0.0 110.239 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.6 -44.62 86.05 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.568 -173.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -51.85 -37.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 119.693 1.133 . . . . 0.0 109.876 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 -55.66 14.64 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.81 -35.93 64.54 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.836 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -86.31 -61.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 118.598 1.199 . . . . 0.0 108.672 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.62 73.34 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.163 -1.399 . . . . 0.0 111.637 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.63 -43.83 2.91 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.366 1.439 . . . . 0.0 111.79 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -58.78 -49.38 77.87 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.6 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.19 -68.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.56 70.1 10.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.174 0.897 . . . . 0.0 109.403 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.353 0.731 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.104 176.452 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 118.823 -0.608 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -109.52 -52.39 2.78 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.794 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.67 -44.38 93.91 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.39 -51.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -63.03 -63.02 1.32 Allowed 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.96 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.43 -56.35 23.12 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.45 -169.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.24 86.88 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.558 1.072 . . . . 0.0 110.376 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.35 -63.95 4.77 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.556 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.93 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.38 -47.91 88.55 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.074 1.306 . . . . 0.0 110.314 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -68.35 -45.46 72.77 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.375 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.19 -53.5 19.7 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.965 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -49.17 -36.93 9.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 119.648 1.113 . . . . 0.0 110.411 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.18 -58.93 5.95 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.08 -37.48 94.54 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.652 -1.261 . . . . 0.0 112.894 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.78 -58.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 118.627 1.214 . . . . 0.0 108.524 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.12 72.19 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.205 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.82 -44.07 3.18 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.483 1.492 . . . . 0.0 111.555 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -59.08 -50.25 74.77 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.062 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -77.56 -67.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 72.55 7.73 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.1 0.864 . . . . 0.0 108.792 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.353 0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.101 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 117.457 -1.258 . . . . 0.0 112.645 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.62 -49.46 62.92 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.698 1.59 . . . . 0.0 109.377 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.096 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.11 -41.48 91.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.81 -67.93 0.4 Allowed 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -48.34 -55.67 10.1 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.114 0.87 . . . . 0.0 111.746 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -49.74 75.61 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.262 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.27 -67.78 1.95 Allowed Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.777 -175.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.13 -32.9 72.59 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.728 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.26 -44.26 98.32 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 120.39 1.45 . . . . 0.0 110.844 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 t -73.62 -44.91 55.77 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.892 0.846 . . . . 0.0 110.638 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.11 -45.39 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.709 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.48 -37.6 19.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 119.8 1.182 . . . . 0.0 109.657 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -60.27 -59.9 4.68 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.17 -36.13 80.81 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 119.629 -1.272 . . . . 0.0 113.206 -175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.9 mt -84.28 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.578 1.189 . . . . 0.0 108.556 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.32 74.69 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 116.884 -1.531 . . . . 0.0 111.475 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.12 -46.18 2.94 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.499 1.5 . . . . 0.0 112.096 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -57.71 -46.33 84.52 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.423 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.07 -68.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.8 71.27 7.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.048 0.84 . . . . 0.0 109.825 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.354 0.8 0 CA-C-O 121.538 0.685 . . . . 0.0 112.642 173.522 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.512 -0.51 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -118.55 -52.02 2.37 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.314 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -58.65 -44.65 90.16 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.205 1.366 . . . . 0.0 108.909 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.43 -53.34 37.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.76 -53.26 54.82 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.556 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -68.93 -51.9 34.89 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.62 -171.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.785 0.72 . . . . 0.0 110.226 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.61 7.37 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 120.22 -0.99 . . . . 0.0 110.723 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.16 -34.41 78.32 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.087 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.41 -43.86 76.75 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 120.009 1.277 . . . . 0.0 111.618 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -78.24 -48.66 15.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 117.928 0.864 . . . . 0.0 110.265 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.44 -42.07 92.81 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.141 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.95 -40.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.679 1.127 . . . . 0.0 109.832 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -62.73 -59.37 4.98 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.93 -34.2 22.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 118.351 -1.249 . . . . 0.0 113.58 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.5 mt -94.23 -62.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 118.744 1.272 . . . . 0.0 109.09 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -28.81 70.14 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.005 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.05 4.12 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.765 1.62 . . . . 0.0 111.601 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.305 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -76.6 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.353 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.58 61.77 2.73 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.002 0.819 . . . . 0.0 110.385 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.354 0.777 0 CA-C-O 121.561 0.696 . . . . 0.0 111.678 173.55 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 CA--C 1.512 -0.503 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -144.38 -55.84 0.35 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.771 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -53.78 -45.93 70.84 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 168.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.05 -53.26 39.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -62.24 -61.96 2.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.236 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -60.18 -47.25 86.73 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.851 -170.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.76 71.0 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.414 1.006 . . . . 0.0 109.752 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.52 -62.12 6.69 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.2 -32.85 72.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.905 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.51 -48.81 84.2 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 120.475 1.488 . . . . 0.0 111.04 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.6 t -71.5 -47.11 57.49 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.94 -48.43 68.62 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.435 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -52.67 -38.2 26.68 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 119.383 0.992 . . . . 0.0 109.854 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.38 -57.18 13.32 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 118.826 -1.149 . . . . 0.0 108.215 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.2 95.84 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 119.609 -1.281 . . . . 0.0 112.625 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.2 -59.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.51 70.6 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.47 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.48 -44.49 5.95 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.503 1.501 . . . . 0.0 111.248 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -59.16 -48.78 80.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.761 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.62 -69.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.67 73.32 10.27 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.134 0.879 . . . . 0.0 108.917 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.353 0.748 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.247 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -145.22 -59.34 0.35 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.994 -172.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.82 -44.53 90.89 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.49 -42.76 95.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -63.72 -66.76 0.5 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -49.47 -55.34 13.58 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.569 1.077 . . . . 0.0 111.567 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.37 77.98 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.234 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.34 -68.19 1.76 Allowed Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.093 -1.051 . . . . 0.0 110.864 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.74 -35.22 75.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.187 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.99 94.41 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 120.21 1.368 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -70.26 -46.13 65.0 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 117.934 0.867 . . . . 0.0 110.494 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.55 -52.63 24.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.176 -173.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -48.13 -36.57 6.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.602 1.092 . . . . 0.0 110.58 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.39 -58.78 6.42 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.1 94.15 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 119.756 -1.211 . . . . 0.0 112.917 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.11 -57.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 118.756 1.278 . . . . 0.0 108.049 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.54 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.23 -44.78 11.39 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 121.176 1.807 . . . . 0.0 110.559 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -61.96 -45.62 92.85 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.44 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -79.24 -68.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.36 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.38 69.87 6.99 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.959 0.8 . . . . 0.0 109.743 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 122.02 0.914 . . . . 0.0 111.519 174.036 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 CA--C 1.51 -0.562 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -133.89 -53.79 0.87 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.401 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -53.64 -47.84 69.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.345 1.429 . . . . 0.0 107.804 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -65.42 -50.22 73.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -66.12 -15.79 63.4 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.112 -1.423 . . . . 0.0 111.121 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -116.26 46.37 1.59 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 107.14 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.84 -56.53 0.04 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.71 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.96 -75.81 0.31 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 107.649 -2.181 . . . . 0.0 107.649 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.52 -32.91 70.73 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.687 1.243 . . . . 0.0 110.554 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.51 -47.35 91.57 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 119.867 1.212 . . . . 0.0 112.433 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -89.16 -48.28 7.5 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.109 0.955 . . . . 0.0 110.618 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.99 -41.54 78.63 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.221 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -50.08 -38.43 14.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 120.441 1.473 . . . . 0.0 109.831 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.08 -57.32 7.03 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.84 -35.48 68.32 Favored Glycine 0 C--N 1.352 1.439 0 C-N-CA 119.61 -1.281 . . . . 0.0 113.069 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.69 -59.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 118.551 1.175 . . . . 0.0 109.156 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.02 72.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.117 -1.42 . . . . 0.0 111.172 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.88 -43.57 6.45 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.407 1.458 . . . . 0.0 111.96 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.23 -44.79 88.4 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.411 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.16 -65.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.27 57.08 0.75 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.005 0.821 . . . . 0.0 111.114 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.53 0.681 . . . . 0.0 112.782 172.45 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.651 -0.69 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -104.94 -57.08 2.08 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.058 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -50.45 -44.26 55.48 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.156 0.889 . . . . 0.0 109.447 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.1 -46.43 84.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -66.73 -20.07 65.89 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 116.577 -1.678 . . . . 0.0 111.631 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -101.32 33.54 2.87 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 121.327 1.876 . . . . 0.0 110.308 171.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.69 -58.95 0.13 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 119.469 1.032 . . . . 0.0 110.713 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.83 -72.25 0.61 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.11 -17.63 58.52 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.166 -1.397 . . . . 0.0 112.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.38 -52.69 9.99 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 120.917 1.69 . . . . 0.0 111.568 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -86.53 -45.64 10.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 117.966 0.883 . . . . 0.0 111.34 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.85 -40.12 96.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.591 -1.195 . . . . 0.0 109.995 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.69 -39.43 23.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 120.045 1.293 . . . . 0.0 109.731 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.09 -55.56 24.33 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.582 -177.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.11 -39.29 97.03 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.58 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -72.35 -59.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.43 68.0 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.329 -177.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.29 -45.02 8.46 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 120.734 1.606 . . . . 0.0 111.062 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -59.48 -48.07 83.07 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.369 -0.932 . . . . 0.0 109.009 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.91 -68.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.178 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.98 68.47 6.19 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.895 0.77 . . . . 0.0 110.039 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.355 0.82 0 CA-C-O 121.595 0.712 . . . . 0.0 112.212 173.333 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -121.33 -53.77 2.01 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.467 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.73 -42.49 83.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.602 1.092 . . . . 0.0 108.249 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.51 -48.16 89.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.08 -21.49 66.82 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.488 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -106.19 48.19 0.85 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.079 1.309 . . . . 0.0 108.809 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.02 -59.34 0.06 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.197 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.88 -79.83 0.15 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.28 -28.18 69.54 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.565 1.183 . . . . 0.0 111.132 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -53.69 32.36 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 120.163 1.347 . . . . 0.0 112.182 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -86.13 -46.01 10.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.117 0.958 . . . . 0.0 111.258 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.64 -38.76 88.89 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.62 -172.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.48 -37.76 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 109.955 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.08 -56.66 11.75 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.54 -37.39 82.34 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.59 -1.29 . . . . 0.0 112.786 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -82.16 -61.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 118.503 1.152 . . . . 0.0 108.404 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.03 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.379 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.26 8.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.545 1.521 . . . . 0.0 111.649 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.44 -45.86 87.69 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.255 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -78.61 -67.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.16 54.82 0.76 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.065 0.848 . . . . 0.0 111.375 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.354 0.787 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 171.893 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -94.73 -53.06 4.01 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.314 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -51.21 -47.58 62.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.619 1.1 . . . . 0.0 109.093 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.92 -48.62 81.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.061 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.63 -14.93 63.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.114 -1.422 . . . . 0.0 110.683 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -115.55 41.41 2.5 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.668 1.576 . . . . 0.0 107.786 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 -57.27 0.07 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.103 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.06 -79.52 0.15 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.52 -31.9 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.881 1.34 . . . . 0.0 110.349 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.4 52.59 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 119.893 1.224 . . . . 0.0 112.493 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -87.03 -45.88 10.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.298 1.049 . . . . 0.0 111.259 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.6 -45.08 85.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.788 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.6 p -50.47 -36.87 14.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 CA-C-N 119.896 1.225 . . . . 0.0 110.366 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -62.84 -62.05 1.99 Allowed 'General case' 0 C--N 1.353 0.756 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.07 -37.08 94.08 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -72.09 -57.82 6.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 118.903 1.352 . . . . 0.0 107.946 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.05 68.41 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.135 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.63 -43.56 8.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.618 1.554 . . . . 0.0 110.897 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.321 -0.951 . . . . 0.0 108.871 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -76.58 -68.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.53 -0.747 . . . . 0.0 109.262 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 65.38 6.83 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.073 0.851 . . . . 0.0 110.006 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.935 0.874 . . . . 0.0 111.828 174.167 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.007 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -56.52 -45.29 81.19 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.734 1.152 . . . . 0.0 108.271 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -48.39 85.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -64.86 -21.26 66.77 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.389 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.27 45.38 0.98 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.762 1.165 . . . . 0.0 108.768 172.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.77 -59.33 0.06 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.345 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.72 -81.0 0.13 Allowed Glycine 0 C--N 1.354 1.57 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.88 -31.09 69.47 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.729 1.265 . . . . 0.0 110.682 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.65 -56.88 20.51 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 119.914 1.233 . . . . 0.0 112.034 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -83.34 -46.79 12.18 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.173 0.986 . . . . 0.0 111.491 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.58 -44.34 89.78 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.289 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.79 -39.93 15.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.812 1.187 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -69.03 -50.44 48.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.768 1.167 . . . . 0.0 109.654 -174.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.98 94.81 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 119.854 -1.165 . . . . 0.0 112.033 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mm -70.94 -54.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 118.588 1.194 . . . . 0.0 108.048 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.26 64.64 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.585 -1.674 . . . . 0.0 111.598 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -36.45 -53.35 0.86 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.654 1.57 . . . . 0.0 112.662 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -54.68 -53.69 51.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.111 0.869 . . . . 0.0 110.071 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.77 -58.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.928 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.21 73.07 1.51 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.818 0.735 . . . . 0.0 110.685 -173.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.354 0.792 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 172.564 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.81 -49.94 2.71 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.127 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -53.35 -45.0 68.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.947 1.249 . . . . 0.0 107.973 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.65 -51.74 63.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.15 -19.54 66.03 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.366 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -110.27 47.49 0.96 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.119 1.327 . . . . 0.0 107.775 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.67 -58.1 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.54 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.53 -79.01 0.18 Allowed Glycine 0 C--N 1.354 1.543 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.37 -29.4 67.66 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.504 1.152 . . . . 0.0 110.904 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.77 -55.45 24.72 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 120.084 1.311 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -83.51 -46.26 12.65 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.138 0.969 . . . . 0.0 111.317 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.15 -42.05 94.05 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.468 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.51 -38.01 20.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 119.956 1.253 . . . . 0.0 110.405 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.73 -51.71 63.74 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.52 1.055 . . . . 0.0 109.087 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.33 91.44 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 118.546 -1.141 . . . . 0.0 112.523 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.33 -55.7 11.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.9 1.35 . . . . 0.0 107.471 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.91 -18.16 55.01 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.779 -1.581 . . . . 0.0 112.171 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.33 -50.54 2.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.753 1.615 . . . . 0.0 111.385 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -64.61 -54.06 37.9 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.009 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.36 -59.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.946 -169.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.84 53.55 1.68 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.886 0.766 . . . . 0.0 110.574 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.162 0.506 . . . . 0.0 112.099 174.306 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.34 -55.65 1.84 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.834 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -59.07 -44.61 91.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -51.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.56 -19.8 66.07 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 117.48 -1.248 . . . . 0.0 110.517 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -108.71 43.21 1.27 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.341 1.428 . . . . 0.0 108.232 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.9 -57.24 0.06 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.833 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.16 -79.4 0.15 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 107.452 -2.259 . . . . 0.0 107.452 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.77 -32.4 69.26 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.772 1.286 . . . . 0.0 110.5 177.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.28 -49.96 72.9 Favored Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.54 1.064 . . . . 0.0 112.32 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -90.14 -47.2 7.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.245 1.022 . . . . 0.0 111.189 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.0 mt -56.29 -37.91 70.53 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.574 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -48.68 -40.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 120.301 1.409 . . . . 0.0 110.131 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.93 -55.23 15.52 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.122 1.328 . . . . 0.0 107.861 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -33.56 30.31 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.515 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mm -99.78 -59.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 118.749 1.275 . . . . 0.0 109.848 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.99 73.17 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.97 -1.49 . . . . 0.0 111.486 -174.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.59 -41.99 2.33 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.584 1.538 . . . . 0.0 111.521 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.09 -50.51 73.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.856 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -76.92 -67.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.53 72.0 7.41 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.037 0.835 . . . . 0.0 108.98 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.353 0.742 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -92.75 -49.81 5.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.573 1.078 . . . . 0.0 109.83 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.91 -42.13 79.37 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.178 0.899 . . . . 0.0 109.196 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.11 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.76 -22.28 66.95 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.731 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -102.39 40.73 1.31 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.866 1.212 . . . . 0.0 109.002 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.03 -58.93 0.07 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.652 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -80.34 0.12 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.63 -31.71 71.82 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 118.732 1.266 . . . . 0.0 110.553 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.44 -53.23 47.94 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-N 119.63 1.104 . . . . 0.0 112.309 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -90.08 -46.55 8.4 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.026 0.913 . . . . 0.0 111.62 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.54 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 p -49.15 -38.75 11.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.177 1.353 . . . . 0.0 110.105 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -65.91 -56.99 8.94 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.11 54.71 Favored Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.653 -1.26 . . . . 0.0 113.042 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.8 mt -88.41 -61.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 118.527 1.163 . . . . 0.0 108.788 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.34 72.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.679 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.82 4.21 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.478 1.49 . . . . 0.0 111.598 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -59.59 -45.99 90.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.389 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -76.72 -68.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.145 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.66 65.91 5.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.037 0.835 . . . . 0.0 110.087 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.354 0.784 0 CA-C-O 121.571 0.7 . . . . 0.0 112.274 174.04 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.616 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.05 -21.56 65.91 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.404 -1.284 . . . . 0.0 111.501 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.349 1.431 . . . . 0.0 110.203 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -59.48 -45.38 91.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.059 0.845 . . . . 0.0 109.234 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -46.61 95.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.41 -60.77 2.61 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.08 -50.22 73.44 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.42 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -48.79 53.93 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.101 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.79 -61.6 7.25 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.526 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -34.12 76.9 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.233 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.4 -43.7 90.06 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.281 1.4 . . . . 0.0 111.278 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -76.59 -48.73 18.27 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 118.095 0.947 . . . . 0.0 110.624 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.29 -45.15 81.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.682 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.06 -38.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 119.455 1.025 . . . . 0.0 110.19 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -66.66 -55.33 15.71 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.94 68.32 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.641 -1.266 . . . . 0.0 112.631 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -84.89 -60.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.506 1.153 . . . . 0.0 108.699 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.13 77.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.187 -1.387 . . . . 0.0 111.455 -174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.93 -45.1 2.47 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.117 1.326 . . . . 0.0 111.907 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -57.3 -48.92 77.69 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.27 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.56 -68.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.73 72.86 9.8 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.144 0.884 . . . . 0.0 109.048 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.354 0.776 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.934 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.672 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.24 44.49 2.94 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -106.51 -62.26 1.41 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.22 -46.25 54.48 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.453 1.024 . . . . 0.0 109.587 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -54.19 33.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.15 -61.0 2.77 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.206 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 -49.83 58.51 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.416 -170.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -46.13 71.88 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.664 1.12 . . . . 0.0 109.636 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.04 -59.28 10.15 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.928 -1.13 . . . . 0.0 110.384 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.1 -33.92 76.49 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.178 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.01 92.37 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-N 120.09 1.314 . . . . 0.0 111.616 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.7 t -75.43 -45.99 35.43 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.92 0.86 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.74 -43.04 76.72 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.798 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.44 -39.05 27.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 119.322 0.965 . . . . 0.0 109.784 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -59.37 -60.31 4.06 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.996 1.271 . . . . 0.0 107.622 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.79 -34.25 44.29 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.395 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.4 mt -93.43 -62.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.706 1.253 . . . . 0.0 109.203 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.86 85.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.067 -1.444 . . . . 0.0 111.503 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.19 -43.85 2.44 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.284 1.402 . . . . 0.0 111.786 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -59.84 -48.39 81.87 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.618 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.2 t -74.66 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 71.48 6.82 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.26 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.632 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mt -106.62 53.61 0.69 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -146.16 -56.54 0.29 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -53.12 -46.21 68.67 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.91 -46.3 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.449 -0.786 . . . . 0.0 108.906 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -63.39 -65.62 0.66 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.56 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -55.53 -47.98 75.42 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.346 0.975 . . . . 0.0 111.676 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.45 81.59 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.038 1.29 . . . . 0.0 109.479 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.19 -70.0 1.2 Allowed Glycine 0 C--N 1.351 1.402 0 C-N-CA 120.034 -1.079 . . . . 0.0 110.718 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.84 -33.59 71.97 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.018 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.38 -44.07 97.98 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 120.62 1.555 . . . . 0.0 110.901 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -74.4 -47.89 31.13 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 117.977 0.889 . . . . 0.0 110.551 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.28 -43.81 76.92 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.823 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.89 -38.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.718 1.145 . . . . 0.0 110.117 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.69 -53.86 24.17 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.69 -34.83 44.73 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.078 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.93 -62.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 118.55 1.175 . . . . 0.0 108.863 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.33 78.87 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 116.913 -1.518 . . . . 0.0 111.63 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.1 -45.1 1.91 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.402 1.455 . . . . 0.0 111.932 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -58.97 -47.29 85.66 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.525 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.81 -68.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.05 71.87 8.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.002 0.819 . . . . 0.0 109.237 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.353 0.741 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.717 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.311 -1.272 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mt 56.74 53.21 8.56 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.258 1.029 . . . . 0.0 108.666 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -137.26 -58.01 0.7 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.01 -46.25 43.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.321 1.419 . . . . 0.0 109.011 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -77.09 -52.07 17.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.757 0.708 . . . . 0.0 109.409 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.05 -57.27 12.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.13 0.877 . . . . 0.0 110.234 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -64.56 -52.93 55.09 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.328 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -47.62 66.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.559 1.072 . . . . 0.0 110.086 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.11 -59.85 8.35 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.5 -35.62 81.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.97 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.21 77.58 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.15 1.341 . . . . 0.0 111.597 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 t -75.98 -47.2 25.91 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 117.897 0.849 . . . . 0.0 110.175 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.41 -47.64 72.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.412 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.56 -37.82 15.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 119.333 0.97 . . . . 0.0 110.077 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.11 -59.65 5.07 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.58 -36.93 91.31 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 119.519 -1.324 . . . . 0.0 112.842 -175.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -80.15 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 118.522 1.161 . . . . 0.0 108.204 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.9 78.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.256 -1.354 . . . . 0.0 111.231 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.96 -45.23 3.73 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.185 1.357 . . . . 0.0 111.67 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.57 -48.89 78.12 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.088 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.79 -69.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.8 73.11 10.67 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.117 0.871 . . . . 0.0 109.063 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.886 176.347 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.6 mt -111.35 22.48 15.1 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.593 -1.194 . . . . 0.0 110.907 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -111.75 -59.24 2.01 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.07 -43.0 51.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.78 1.173 . . . . 0.0 108.413 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.76 -49.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.289 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -64.14 -63.65 1.09 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.844 1.202 . . . . 0.0 108.603 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -54.17 13.46 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.62 0.646 . . . . 0.0 110.998 -175.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -49.07 67.42 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.286 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.22 -64.17 4.64 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.488 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.367 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.78 -42.36 99.74 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 120.286 1.403 . . . . 0.0 111.316 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -76.79 -48.48 18.49 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 118.035 0.918 . . . . 0.0 110.064 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.23 -39.84 89.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.203 -173.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.38 -40.84 33.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 120.072 1.305 . . . . 0.0 109.782 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -63.65 -56.03 18.97 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.34 -35.25 27.55 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.362 -1.243 . . . . 0.0 113.476 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.0 mt -94.95 -61.88 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 118.662 1.231 . . . . 0.0 109.024 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.66 72.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.846 -1.55 . . . . 0.0 111.695 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.42 3.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.465 1.484 . . . . 0.0 112.235 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -55.85 -46.06 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.479 -0.889 . . . . 0.0 109.362 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -75.69 -61.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.761 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.631 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.49 75.24 1.05 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.711 0.687 . . . . 0.0 110.207 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.354 0.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.444 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 tp -125.08 61.78 1.18 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -134.86 -55.77 0.82 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.993 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.63 -43.45 68.74 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.818 1.19 . . . . 0.0 107.877 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.02 -51.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.76 -59.09 5.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.318 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.63 -52.63 59.96 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.103 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.6 1.091 . . . . 0.0 110.392 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.46 -62.48 6.3 Favored Glycine 0 C--N 1.352 1.42 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.603 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.53 -34.68 78.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.597 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.33 -48.66 73.69 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 120.093 1.315 . . . . 0.0 110.656 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 t -70.96 -45.74 63.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.28 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.3 -54.73 15.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.958 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -46.71 -37.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.873 1.215 . . . . 0.0 110.547 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.26 -58.83 5.41 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.37 -35.12 83.72 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.191 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.8 mm -82.41 -59.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 118.919 1.359 . . . . 0.0 108.541 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.64 68.09 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.53 . . . . 0.0 111.451 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.01 -43.97 7.02 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.847 1.658 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -59.4 -46.82 87.61 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.49 -0.884 . . . . 0.0 108.765 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.449 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.39 61.97 1.44 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.905 0.775 . . . . 0.0 110.455 -175.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.354 0.763 0 CA-C-O 121.436 0.636 . . . . 0.0 112.387 173.18 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.694 0 CA-C-O 118.572 -1.126 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -113.04 40.39 2.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 117.624 0.712 . . . . 0.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -109.56 -69.74 0.85 Allowed 'General case' 0 C--N 1.355 0.804 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -40.29 -49.06 2.72 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.316 0.962 . . . . 0.0 111.024 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.24 -47.65 80.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 119.713 -0.795 . . . . 0.0 108.894 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -64.33 -66.61 0.52 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.801 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -54.67 -37.59 65.92 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.816 -1.087 . . . . 0.0 112.856 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.21 -50.68 11.45 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.069 1.304 . . . . 0.0 109.231 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.35 -62.55 6.22 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.35 -34.41 77.66 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.518 -1.229 . . . . 0.0 109.765 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.29 95.46 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 120.375 1.443 . . . . 0.0 111.243 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -77.5 -48.64 16.57 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.978 0.889 . . . . 0.0 110.239 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.6 -44.62 86.05 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.568 -173.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -51.85 -37.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 119.693 1.133 . . . . 0.0 109.876 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 -55.66 14.64 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.81 -35.93 64.54 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.836 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -86.31 -61.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 118.598 1.199 . . . . 0.0 108.672 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.62 73.34 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.163 -1.399 . . . . 0.0 111.637 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.63 -43.83 2.91 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.366 1.439 . . . . 0.0 111.79 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -58.78 -49.38 77.87 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.6 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.19 -68.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.56 70.1 10.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.174 0.897 . . . . 0.0 109.403 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.353 0.731 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.104 176.452 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.651 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.57 39.61 0.56 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.342 1.571 . . . . 0.0 111.507 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -109.52 -52.39 2.78 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.794 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.67 -44.38 93.91 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.39 -51.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -63.03 -63.02 1.32 Allowed 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.96 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.43 -56.35 23.12 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.45 -169.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.24 86.88 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.558 1.072 . . . . 0.0 110.376 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.35 -63.95 4.77 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.556 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.93 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.38 -47.91 88.55 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.074 1.306 . . . . 0.0 110.314 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -68.35 -45.46 72.77 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.375 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.19 -53.5 19.7 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.965 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -49.17 -36.93 9.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 119.648 1.113 . . . . 0.0 110.411 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.18 -58.93 5.95 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.08 -37.48 94.54 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.652 -1.261 . . . . 0.0 112.894 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.78 -58.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 118.627 1.214 . . . . 0.0 108.524 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.12 72.19 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.205 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.82 -44.07 3.18 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.483 1.492 . . . . 0.0 111.555 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -59.08 -50.25 74.77 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.062 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -77.56 -67.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 72.55 7.73 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.1 0.864 . . . . 0.0 108.792 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.353 0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.101 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.682 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.27 -9.39 58.53 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.457 -1.258 . . . . 0.0 112.645 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.62 -49.46 62.92 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.698 1.59 . . . . 0.0 109.377 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.096 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.11 -41.48 91.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.81 -67.93 0.4 Allowed 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -48.34 -55.67 10.1 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.114 0.87 . . . . 0.0 111.746 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -49.74 75.61 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.262 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.27 -67.78 1.95 Allowed Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.777 -175.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.13 -32.9 72.59 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.728 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.26 -44.26 98.32 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 120.39 1.45 . . . . 0.0 110.844 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 t -73.62 -44.91 55.77 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.892 0.846 . . . . 0.0 110.638 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.11 -45.39 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.709 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.48 -37.6 19.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 119.8 1.182 . . . . 0.0 109.657 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -60.27 -59.9 4.68 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.17 -36.13 80.81 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 119.629 -1.272 . . . . 0.0 113.206 -175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.9 mt -84.28 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.578 1.189 . . . . 0.0 108.556 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.32 74.69 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 116.884 -1.531 . . . . 0.0 111.475 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.12 -46.18 2.94 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.499 1.5 . . . . 0.0 112.096 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -57.71 -46.33 84.52 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.423 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.07 -68.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.8 71.27 7.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.048 0.84 . . . . 0.0 109.825 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.354 0.8 0 CA-C-O 121.538 0.685 . . . . 0.0 112.642 173.522 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.648 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 mt 50.01 44.59 25.62 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 117.736 0.768 . . . . 0.0 109.885 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -118.55 -52.02 2.37 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.314 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -58.65 -44.65 90.16 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.205 1.366 . . . . 0.0 108.909 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.43 -53.34 37.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.76 -53.26 54.82 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.556 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -68.93 -51.9 34.89 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.62 -171.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.785 0.72 . . . . 0.0 110.226 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.61 7.37 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 120.22 -0.99 . . . . 0.0 110.723 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.16 -34.41 78.32 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.087 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.41 -43.86 76.75 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 120.009 1.277 . . . . 0.0 111.618 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -78.24 -48.66 15.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 117.928 0.864 . . . . 0.0 110.265 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.44 -42.07 92.81 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.141 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.95 -40.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.679 1.127 . . . . 0.0 109.832 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -62.73 -59.37 4.98 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.93 -34.2 22.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 118.351 -1.249 . . . . 0.0 113.58 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.5 mt -94.23 -62.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 118.744 1.272 . . . . 0.0 109.09 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -28.81 70.14 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.005 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.05 4.12 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.765 1.62 . . . . 0.0 111.601 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.305 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -76.6 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.353 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.58 61.77 2.73 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.002 0.819 . . . . 0.0 110.385 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.354 0.777 0 CA-C-O 121.561 0.696 . . . . 0.0 111.678 173.55 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.662 0 CA-C-O 118.797 -1.002 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 mt -116.1 51.51 0.96 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -144.38 -55.84 0.35 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.771 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -53.78 -45.93 70.84 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 168.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.05 -53.26 39.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -62.24 -61.96 2.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.236 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -60.18 -47.25 86.73 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.851 -170.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.76 71.0 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.414 1.006 . . . . 0.0 109.752 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.52 -62.12 6.69 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.2 -32.85 72.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.905 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.51 -48.81 84.2 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 120.475 1.488 . . . . 0.0 111.04 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.6 t -71.5 -47.11 57.49 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.94 -48.43 68.62 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.435 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -52.67 -38.2 26.68 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 119.383 0.992 . . . . 0.0 109.854 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.38 -57.18 13.32 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 118.826 -1.149 . . . . 0.0 108.215 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.2 95.84 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 119.609 -1.281 . . . . 0.0 112.625 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.2 -59.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.51 70.6 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.47 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.48 -44.49 5.95 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.503 1.501 . . . . 0.0 111.248 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -59.16 -48.78 80.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.761 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.62 -69.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.67 73.32 10.27 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.134 0.879 . . . . 0.0 108.917 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.353 0.748 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.247 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 118.39 -1.228 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt 51.35 49.46 20.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.256 1.028 . . . . 0.0 108.606 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -145.22 -59.34 0.35 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.994 -172.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.82 -44.53 90.89 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.49 -42.76 95.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -63.72 -66.76 0.5 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -49.47 -55.34 13.58 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.569 1.077 . . . . 0.0 111.567 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.37 77.98 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.234 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.34 -68.19 1.76 Allowed Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.093 -1.051 . . . . 0.0 110.864 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.74 -35.22 75.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.187 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.99 94.41 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 120.21 1.368 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -70.26 -46.13 65.0 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 117.934 0.867 . . . . 0.0 110.494 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.55 -52.63 24.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.176 -173.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -48.13 -36.57 6.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.602 1.092 . . . . 0.0 110.58 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.39 -58.78 6.42 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.1 94.15 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 119.756 -1.211 . . . . 0.0 112.917 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.11 -57.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 118.756 1.278 . . . . 0.0 108.049 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.54 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.23 -44.78 11.39 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 121.176 1.807 . . . . 0.0 110.559 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -61.96 -45.62 92.85 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.44 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -79.24 -68.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.36 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.38 69.87 6.99 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.959 0.8 . . . . 0.0 109.743 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 122.02 0.914 . . . . 0.0 111.519 174.036 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.703 0 CA-C-O 118.689 -1.062 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt -115.74 54.75 0.8 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -133.89 -53.79 0.87 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.401 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -53.64 -47.84 69.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.345 1.429 . . . . 0.0 107.804 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -65.42 -50.22 73.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -66.12 -15.79 63.4 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.112 -1.423 . . . . 0.0 111.121 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -116.26 46.37 1.59 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 107.14 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.84 -56.53 0.04 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.71 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.96 -75.81 0.31 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 107.649 -2.181 . . . . 0.0 107.649 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.52 -32.91 70.73 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.687 1.243 . . . . 0.0 110.554 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.51 -47.35 91.57 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 119.867 1.212 . . . . 0.0 112.433 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -89.16 -48.28 7.5 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.109 0.955 . . . . 0.0 110.618 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.99 -41.54 78.63 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.221 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -50.08 -38.43 14.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 120.441 1.473 . . . . 0.0 109.831 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.08 -57.32 7.03 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.84 -35.48 68.32 Favored Glycine 0 C--N 1.352 1.439 0 C-N-CA 119.61 -1.281 . . . . 0.0 113.069 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.69 -59.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 118.551 1.175 . . . . 0.0 109.156 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.02 72.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.117 -1.42 . . . . 0.0 111.172 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.88 -43.57 6.45 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.407 1.458 . . . . 0.0 111.96 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.23 -44.79 88.4 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.411 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.16 -65.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.27 57.08 0.75 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.005 0.821 . . . . 0.0 111.114 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.53 0.681 . . . . 0.0 112.782 172.45 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 CA-C-O 118.16 -1.356 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.3 mt 49.03 36.49 8.67 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.739 1.269 . . . . 0.0 110.806 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -104.94 -57.08 2.08 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.058 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -50.45 -44.26 55.48 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.156 0.889 . . . . 0.0 109.447 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.1 -46.43 84.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -66.73 -20.07 65.89 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 116.577 -1.678 . . . . 0.0 111.631 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -101.32 33.54 2.87 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 121.327 1.876 . . . . 0.0 110.308 171.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.69 -58.95 0.13 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 119.469 1.032 . . . . 0.0 110.713 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.83 -72.25 0.61 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.11 -17.63 58.52 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.166 -1.397 . . . . 0.0 112.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.38 -52.69 9.99 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 120.917 1.69 . . . . 0.0 111.568 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -86.53 -45.64 10.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 117.966 0.883 . . . . 0.0 111.34 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.85 -40.12 96.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.591 -1.195 . . . . 0.0 109.995 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.69 -39.43 23.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 120.045 1.293 . . . . 0.0 109.731 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.09 -55.56 24.33 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.582 -177.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.11 -39.29 97.03 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.58 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -72.35 -59.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.43 68.0 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.329 -177.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.29 -45.02 8.46 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 120.734 1.606 . . . . 0.0 111.062 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -59.48 -48.07 83.07 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.369 -0.932 . . . . 0.0 109.009 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.91 -68.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.178 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.98 68.47 6.19 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.895 0.77 . . . . 0.0 110.039 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.355 0.82 0 CA-C-O 121.595 0.712 . . . . 0.0 112.212 173.333 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.651 0 CA-C-O 117.698 -1.612 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt 52.66 42.57 31.64 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.293 1.546 . . . . 0.0 109.751 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -121.33 -53.77 2.01 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.467 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.73 -42.49 83.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.602 1.092 . . . . 0.0 108.249 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.51 -48.16 89.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.08 -21.49 66.82 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.488 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -106.19 48.19 0.85 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.079 1.309 . . . . 0.0 108.809 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.02 -59.34 0.06 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.197 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.88 -79.83 0.15 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.28 -28.18 69.54 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.565 1.183 . . . . 0.0 111.132 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -53.69 32.36 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 120.163 1.347 . . . . 0.0 112.182 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -86.13 -46.01 10.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.117 0.958 . . . . 0.0 111.258 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.64 -38.76 88.89 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.62 -172.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.48 -37.76 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 109.955 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.08 -56.66 11.75 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.54 -37.39 82.34 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.59 -1.29 . . . . 0.0 112.786 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -82.16 -61.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 118.503 1.152 . . . . 0.0 108.404 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.03 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.379 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.26 8.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.545 1.521 . . . . 0.0 111.649 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.44 -45.86 87.69 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.255 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -78.61 -67.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.16 54.82 0.76 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.065 0.848 . . . . 0.0 111.375 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.354 0.787 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 171.893 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.641 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.95 33.26 0.67 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.226 1.013 . . . . 0.0 112.519 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -94.73 -53.06 4.01 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.314 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -51.21 -47.58 62.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.619 1.1 . . . . 0.0 109.093 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.92 -48.62 81.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.061 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.63 -14.93 63.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.114 -1.422 . . . . 0.0 110.683 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -115.55 41.41 2.5 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.668 1.576 . . . . 0.0 107.786 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 -57.27 0.07 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.103 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.06 -79.52 0.15 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.52 -31.9 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.881 1.34 . . . . 0.0 110.349 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.4 52.59 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 119.893 1.224 . . . . 0.0 112.493 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -87.03 -45.88 10.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.298 1.049 . . . . 0.0 111.259 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.6 -45.08 85.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.788 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.6 p -50.47 -36.87 14.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 CA-C-N 119.896 1.225 . . . . 0.0 110.366 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -62.84 -62.05 1.99 Allowed 'General case' 0 C--N 1.353 0.756 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.07 -37.08 94.08 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -72.09 -57.82 6.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 118.903 1.352 . . . . 0.0 107.946 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.05 68.41 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.135 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.63 -43.56 8.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.618 1.554 . . . . 0.0 110.897 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.321 -0.951 . . . . 0.0 108.871 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -76.58 -68.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.53 -0.747 . . . . 0.0 109.262 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 65.38 6.83 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.073 0.851 . . . . 0.0 110.006 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.935 0.874 . . . . 0.0 111.828 174.167 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.928 -0.929 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.4 mt -114.85 54.73 0.77 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.007 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -56.52 -45.29 81.19 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.734 1.152 . . . . 0.0 108.271 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -48.39 85.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -64.86 -21.26 66.77 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.389 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.27 45.38 0.98 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.762 1.165 . . . . 0.0 108.768 172.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.77 -59.33 0.06 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.345 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.72 -81.0 0.13 Allowed Glycine 0 C--N 1.354 1.57 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.88 -31.09 69.47 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.729 1.265 . . . . 0.0 110.682 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.65 -56.88 20.51 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 119.914 1.233 . . . . 0.0 112.034 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -83.34 -46.79 12.18 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.173 0.986 . . . . 0.0 111.491 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.58 -44.34 89.78 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.289 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.79 -39.93 15.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.812 1.187 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -69.03 -50.44 48.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.768 1.167 . . . . 0.0 109.654 -174.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.98 94.81 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 119.854 -1.165 . . . . 0.0 112.033 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mm -70.94 -54.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 118.588 1.194 . . . . 0.0 108.048 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.26 64.64 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.585 -1.674 . . . . 0.0 111.598 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -36.45 -53.35 0.86 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.654 1.57 . . . . 0.0 112.662 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -54.68 -53.69 51.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.111 0.869 . . . . 0.0 110.071 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.77 -58.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.928 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.21 73.07 1.51 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.818 0.735 . . . . 0.0 110.685 -173.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.354 0.792 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 172.564 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.72 41.21 0.85 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 117.766 0.783 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.81 -49.94 2.71 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.127 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -53.35 -45.0 68.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.947 1.249 . . . . 0.0 107.973 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.65 -51.74 63.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.15 -19.54 66.03 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.366 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -110.27 47.49 0.96 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.119 1.327 . . . . 0.0 107.775 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.67 -58.1 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.54 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.53 -79.01 0.18 Allowed Glycine 0 C--N 1.354 1.543 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.37 -29.4 67.66 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.504 1.152 . . . . 0.0 110.904 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.77 -55.45 24.72 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 120.084 1.311 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -83.51 -46.26 12.65 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.138 0.969 . . . . 0.0 111.317 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.15 -42.05 94.05 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.468 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.51 -38.01 20.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 119.956 1.253 . . . . 0.0 110.405 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.73 -51.71 63.74 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.52 1.055 . . . . 0.0 109.087 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.33 91.44 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 118.546 -1.141 . . . . 0.0 112.523 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.33 -55.7 11.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.9 1.35 . . . . 0.0 107.471 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.91 -18.16 55.01 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.779 -1.581 . . . . 0.0 112.171 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.33 -50.54 2.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.753 1.615 . . . . 0.0 111.385 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -64.61 -54.06 37.9 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.009 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.36 -59.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.946 -169.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.84 53.55 1.68 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.886 0.766 . . . . 0.0 110.574 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.162 0.506 . . . . 0.0 112.099 174.306 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.57 49.28 0.68 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 117.73 0.765 . . . . 0.0 109.466 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.34 -55.65 1.84 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.834 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -59.07 -44.61 91.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -51.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.56 -19.8 66.07 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 117.48 -1.248 . . . . 0.0 110.517 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -108.71 43.21 1.27 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.341 1.428 . . . . 0.0 108.232 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.9 -57.24 0.06 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.833 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.16 -79.4 0.15 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 107.452 -2.259 . . . . 0.0 107.452 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.77 -32.4 69.26 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.772 1.286 . . . . 0.0 110.5 177.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.28 -49.96 72.9 Favored Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.54 1.064 . . . . 0.0 112.32 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -90.14 -47.2 7.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.245 1.022 . . . . 0.0 111.189 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.0 mt -56.29 -37.91 70.53 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.574 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -48.68 -40.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 120.301 1.409 . . . . 0.0 110.131 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.93 -55.23 15.52 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.122 1.328 . . . . 0.0 107.861 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -33.56 30.31 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.515 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mm -99.78 -59.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 118.749 1.275 . . . . 0.0 109.848 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.99 73.17 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.97 -1.49 . . . . 0.0 111.486 -174.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.59 -41.99 2.33 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.584 1.538 . . . . 0.0 111.521 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.09 -50.51 73.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.856 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -76.92 -67.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.53 72.0 7.41 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.037 0.835 . . . . 0.0 108.98 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.353 0.742 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 CA-C-O 118.854 -0.97 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt 53.63 24.59 4.32 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.703 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -92.75 -49.81 5.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.573 1.078 . . . . 0.0 109.83 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.91 -42.13 79.37 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.178 0.899 . . . . 0.0 109.196 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.11 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.76 -22.28 66.95 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.731 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -102.39 40.73 1.31 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.866 1.212 . . . . 0.0 109.002 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.03 -58.93 0.07 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.652 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -80.34 0.12 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.63 -31.71 71.82 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 118.732 1.266 . . . . 0.0 110.553 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.44 -53.23 47.94 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-N 119.63 1.104 . . . . 0.0 112.309 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -90.08 -46.55 8.4 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.026 0.913 . . . . 0.0 111.62 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.54 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 p -49.15 -38.75 11.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.177 1.353 . . . . 0.0 110.105 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -65.91 -56.99 8.94 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.11 54.71 Favored Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.653 -1.26 . . . . 0.0 113.042 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.8 mt -88.41 -61.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 118.527 1.163 . . . . 0.0 108.788 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.34 72.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.679 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.82 4.21 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.478 1.49 . . . . 0.0 111.598 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -59.59 -45.99 90.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.389 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -76.72 -68.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.145 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.66 65.91 5.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.037 0.835 . . . . 0.0 110.087 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.354 0.784 0 CA-C-O 121.571 0.7 . . . . 0.0 112.274 174.04 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 117.404 -1.284 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.349 1.431 . . . . 0.0 110.203 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -59.48 -45.38 91.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.059 0.845 . . . . 0.0 109.234 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -46.61 95.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.41 -60.77 2.61 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.08 -50.22 73.44 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.42 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -48.79 53.93 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.101 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.79 -61.6 7.25 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.526 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -34.12 76.9 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.233 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.4 -43.7 90.06 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.281 1.4 . . . . 0.0 111.278 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -76.59 -48.73 18.27 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 118.095 0.947 . . . . 0.0 110.624 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.29 -45.15 81.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.682 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.06 -38.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 119.455 1.025 . . . . 0.0 110.19 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -66.66 -55.33 15.71 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.94 68.32 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.641 -1.266 . . . . 0.0 112.631 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -84.89 -60.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.506 1.153 . . . . 0.0 108.699 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.13 77.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.187 -1.387 . . . . 0.0 111.455 -174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.93 -45.1 2.47 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.117 1.326 . . . . 0.0 111.907 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -57.3 -48.92 77.69 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.27 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.56 -68.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.73 72.86 9.8 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.144 0.884 . . . . 0.0 109.048 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.354 0.776 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.221 -0.407 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -106.51 -62.26 1.41 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.22 -46.25 54.48 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.453 1.024 . . . . 0.0 109.587 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -54.19 33.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.15 -61.0 2.77 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.206 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 -49.83 58.51 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.416 -170.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -46.13 71.88 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.664 1.12 . . . . 0.0 109.636 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.04 -59.28 10.15 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.928 -1.13 . . . . 0.0 110.384 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.1 -33.92 76.49 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.178 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.01 92.37 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-N 120.09 1.314 . . . . 0.0 111.616 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.7 t -75.43 -45.99 35.43 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.92 0.86 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.74 -43.04 76.72 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.798 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.44 -39.05 27.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 119.322 0.965 . . . . 0.0 109.784 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -59.37 -60.31 4.06 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.996 1.271 . . . . 0.0 107.622 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.79 -34.25 44.29 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.395 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.4 mt -93.43 -62.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.706 1.253 . . . . 0.0 109.203 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.86 85.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.067 -1.444 . . . . 0.0 111.503 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.19 -43.85 2.44 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.284 1.402 . . . . 0.0 111.786 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -59.84 -48.39 81.87 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.618 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.2 t -74.66 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 71.48 6.82 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.26 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -146.16 -56.54 0.29 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -53.12 -46.21 68.67 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.91 -46.3 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.449 -0.786 . . . . 0.0 108.906 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -63.39 -65.62 0.66 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.56 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -55.53 -47.98 75.42 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.346 0.975 . . . . 0.0 111.676 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.45 81.59 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.038 1.29 . . . . 0.0 109.479 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.19 -70.0 1.2 Allowed Glycine 0 C--N 1.351 1.402 0 C-N-CA 120.034 -1.079 . . . . 0.0 110.718 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.84 -33.59 71.97 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.018 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.38 -44.07 97.98 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 120.62 1.555 . . . . 0.0 110.901 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -74.4 -47.89 31.13 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 117.977 0.889 . . . . 0.0 110.551 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.28 -43.81 76.92 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.823 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.89 -38.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.718 1.145 . . . . 0.0 110.117 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.69 -53.86 24.17 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.69 -34.83 44.73 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.078 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.93 -62.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 118.55 1.175 . . . . 0.0 108.863 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.33 78.87 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 116.913 -1.518 . . . . 0.0 111.63 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.1 -45.1 1.91 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.402 1.455 . . . . 0.0 111.932 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -58.97 -47.29 85.66 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.525 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.81 -68.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.05 71.87 8.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.002 0.819 . . . . 0.0 109.237 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.353 0.741 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.717 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -137.26 -58.01 0.7 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.01 -46.25 43.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.321 1.419 . . . . 0.0 109.011 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -77.09 -52.07 17.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.757 0.708 . . . . 0.0 109.409 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.05 -57.27 12.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.13 0.877 . . . . 0.0 110.234 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -64.56 -52.93 55.09 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.328 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -47.62 66.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.559 1.072 . . . . 0.0 110.086 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.11 -59.85 8.35 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.5 -35.62 81.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.97 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.21 77.58 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.15 1.341 . . . . 0.0 111.597 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 t -75.98 -47.2 25.91 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 117.897 0.849 . . . . 0.0 110.175 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.41 -47.64 72.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.412 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.56 -37.82 15.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 119.333 0.97 . . . . 0.0 110.077 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.11 -59.65 5.07 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.58 -36.93 91.31 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 119.519 -1.324 . . . . 0.0 112.842 -175.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -80.15 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 118.522 1.161 . . . . 0.0 108.204 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.9 78.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.256 -1.354 . . . . 0.0 111.231 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.96 -45.23 3.73 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.185 1.357 . . . . 0.0 111.67 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.57 -48.89 78.12 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.088 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.79 -69.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.8 73.11 10.67 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.117 0.871 . . . . 0.0 109.063 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.886 176.347 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.593 -1.194 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -111.75 -59.24 2.01 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.07 -43.0 51.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.78 1.173 . . . . 0.0 108.413 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.76 -49.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.289 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -64.14 -63.65 1.09 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.844 1.202 . . . . 0.0 108.603 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -54.17 13.46 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.62 0.646 . . . . 0.0 110.998 -175.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -49.07 67.42 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.286 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.22 -64.17 4.64 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.488 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.367 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.78 -42.36 99.74 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 120.286 1.403 . . . . 0.0 111.316 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -76.79 -48.48 18.49 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 118.035 0.918 . . . . 0.0 110.064 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.23 -39.84 89.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.203 -173.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.38 -40.84 33.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 120.072 1.305 . . . . 0.0 109.782 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -63.65 -56.03 18.97 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.34 -35.25 27.55 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.362 -1.243 . . . . 0.0 113.476 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.0 mt -94.95 -61.88 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 118.662 1.231 . . . . 0.0 109.024 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.66 72.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.846 -1.55 . . . . 0.0 111.695 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.42 3.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.465 1.484 . . . . 0.0 112.235 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -55.85 -46.06 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.479 -0.889 . . . . 0.0 109.362 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -75.69 -61.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.761 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.631 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.49 75.24 1.05 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.711 0.687 . . . . 0.0 110.207 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.354 0.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.444 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -134.86 -55.77 0.82 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.993 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.63 -43.45 68.74 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.818 1.19 . . . . 0.0 107.877 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.02 -51.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.76 -59.09 5.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.318 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.63 -52.63 59.96 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.103 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.6 1.091 . . . . 0.0 110.392 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.46 -62.48 6.3 Favored Glycine 0 C--N 1.352 1.42 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.603 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.53 -34.68 78.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.597 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.33 -48.66 73.69 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 120.093 1.315 . . . . 0.0 110.656 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 t -70.96 -45.74 63.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.28 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.3 -54.73 15.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.958 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -46.71 -37.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.873 1.215 . . . . 0.0 110.547 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.26 -58.83 5.41 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.37 -35.12 83.72 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.191 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.8 mm -82.41 -59.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 118.919 1.359 . . . . 0.0 108.541 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.64 68.09 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.53 . . . . 0.0 111.451 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.01 -43.97 7.02 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.847 1.658 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -59.4 -46.82 87.61 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.49 -0.884 . . . . 0.0 108.765 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.449 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.39 61.97 1.44 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.905 0.775 . . . . 0.0 110.455 -175.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.354 0.763 0 CA-C-O 121.436 0.636 . . . . 0.0 112.387 173.18 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -109.56 -69.74 0.85 Allowed 'General case' 0 C--N 1.355 0.804 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -40.29 -49.06 2.72 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.316 0.962 . . . . 0.0 111.024 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.24 -47.65 80.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 119.713 -0.795 . . . . 0.0 108.894 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -64.33 -66.61 0.52 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.801 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -54.67 -37.59 65.92 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.816 -1.087 . . . . 0.0 112.856 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.21 -50.68 11.45 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.069 1.304 . . . . 0.0 109.231 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.35 -62.55 6.22 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.35 -34.41 77.66 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.518 -1.229 . . . . 0.0 109.765 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.29 95.46 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 120.375 1.443 . . . . 0.0 111.243 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -77.5 -48.64 16.57 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.978 0.889 . . . . 0.0 110.239 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.6 -44.62 86.05 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.568 -173.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -51.85 -37.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 119.693 1.133 . . . . 0.0 109.876 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 -55.66 14.64 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.81 -35.93 64.54 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.836 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -86.31 -61.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 118.598 1.199 . . . . 0.0 108.672 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.62 73.34 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.163 -1.399 . . . . 0.0 111.637 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.63 -43.83 2.91 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.366 1.439 . . . . 0.0 111.79 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -58.78 -49.38 77.87 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.6 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.19 -68.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.56 70.1 10.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.174 0.897 . . . . 0.0 109.403 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.353 0.731 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.104 176.452 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 118.823 -0.608 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -109.52 -52.39 2.78 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.794 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.67 -44.38 93.91 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.39 -51.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -63.03 -63.02 1.32 Allowed 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.96 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.43 -56.35 23.12 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.45 -169.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.24 86.88 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.558 1.072 . . . . 0.0 110.376 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.35 -63.95 4.77 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.556 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.93 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.38 -47.91 88.55 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.074 1.306 . . . . 0.0 110.314 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -68.35 -45.46 72.77 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.375 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.19 -53.5 19.7 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.965 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -49.17 -36.93 9.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 119.648 1.113 . . . . 0.0 110.411 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.18 -58.93 5.95 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.08 -37.48 94.54 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.652 -1.261 . . . . 0.0 112.894 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.78 -58.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 118.627 1.214 . . . . 0.0 108.524 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.12 72.19 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.205 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.82 -44.07 3.18 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.483 1.492 . . . . 0.0 111.555 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -59.08 -50.25 74.77 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.062 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -77.56 -67.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 72.55 7.73 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.1 0.864 . . . . 0.0 108.792 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.353 0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.101 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 117.457 -1.258 . . . . 0.0 112.645 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.62 -49.46 62.92 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.698 1.59 . . . . 0.0 109.377 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.096 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.11 -41.48 91.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.81 -67.93 0.4 Allowed 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -48.34 -55.67 10.1 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.114 0.87 . . . . 0.0 111.746 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -49.74 75.61 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.262 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.27 -67.78 1.95 Allowed Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.777 -175.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.13 -32.9 72.59 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.728 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.26 -44.26 98.32 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 120.39 1.45 . . . . 0.0 110.844 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 t -73.62 -44.91 55.77 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.892 0.846 . . . . 0.0 110.638 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.11 -45.39 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.709 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.48 -37.6 19.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 119.8 1.182 . . . . 0.0 109.657 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -60.27 -59.9 4.68 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.17 -36.13 80.81 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 119.629 -1.272 . . . . 0.0 113.206 -175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.9 mt -84.28 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.578 1.189 . . . . 0.0 108.556 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.32 74.69 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 116.884 -1.531 . . . . 0.0 111.475 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.12 -46.18 2.94 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.499 1.5 . . . . 0.0 112.096 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -57.71 -46.33 84.52 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.423 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.07 -68.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.8 71.27 7.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.048 0.84 . . . . 0.0 109.825 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.354 0.8 0 CA-C-O 121.538 0.685 . . . . 0.0 112.642 173.522 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.512 -0.51 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -118.55 -52.02 2.37 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.314 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -58.65 -44.65 90.16 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.205 1.366 . . . . 0.0 108.909 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.43 -53.34 37.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.76 -53.26 54.82 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.556 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -68.93 -51.9 34.89 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.62 -171.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.785 0.72 . . . . 0.0 110.226 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.61 7.37 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 120.22 -0.99 . . . . 0.0 110.723 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.16 -34.41 78.32 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.087 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.41 -43.86 76.75 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 120.009 1.277 . . . . 0.0 111.618 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -78.24 -48.66 15.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 117.928 0.864 . . . . 0.0 110.265 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.44 -42.07 92.81 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.141 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.95 -40.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.679 1.127 . . . . 0.0 109.832 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -62.73 -59.37 4.98 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.93 -34.2 22.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 118.351 -1.249 . . . . 0.0 113.58 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.5 mt -94.23 -62.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 118.744 1.272 . . . . 0.0 109.09 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -28.81 70.14 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.005 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.05 4.12 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.765 1.62 . . . . 0.0 111.601 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.305 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -76.6 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.353 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.58 61.77 2.73 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.002 0.819 . . . . 0.0 110.385 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.354 0.777 0 CA-C-O 121.561 0.696 . . . . 0.0 111.678 173.55 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 CA--C 1.512 -0.503 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -144.38 -55.84 0.35 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.771 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -53.78 -45.93 70.84 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 168.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.05 -53.26 39.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -62.24 -61.96 2.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.236 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -60.18 -47.25 86.73 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.851 -170.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.76 71.0 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.414 1.006 . . . . 0.0 109.752 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.52 -62.12 6.69 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.2 -32.85 72.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.905 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.51 -48.81 84.2 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 120.475 1.488 . . . . 0.0 111.04 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.6 t -71.5 -47.11 57.49 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.94 -48.43 68.62 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.435 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -52.67 -38.2 26.68 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 119.383 0.992 . . . . 0.0 109.854 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.38 -57.18 13.32 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 118.826 -1.149 . . . . 0.0 108.215 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.2 95.84 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 119.609 -1.281 . . . . 0.0 112.625 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.2 -59.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.51 70.6 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.47 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.48 -44.49 5.95 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.503 1.501 . . . . 0.0 111.248 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -59.16 -48.78 80.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.761 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.62 -69.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.67 73.32 10.27 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.134 0.879 . . . . 0.0 108.917 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.353 0.748 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.247 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -145.22 -59.34 0.35 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.994 -172.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.82 -44.53 90.89 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.49 -42.76 95.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -63.72 -66.76 0.5 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -49.47 -55.34 13.58 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.569 1.077 . . . . 0.0 111.567 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.37 77.98 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.234 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.34 -68.19 1.76 Allowed Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.093 -1.051 . . . . 0.0 110.864 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.74 -35.22 75.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.187 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.99 94.41 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 120.21 1.368 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -70.26 -46.13 65.0 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 117.934 0.867 . . . . 0.0 110.494 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.55 -52.63 24.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.176 -173.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -48.13 -36.57 6.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.602 1.092 . . . . 0.0 110.58 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.39 -58.78 6.42 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.1 94.15 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 119.756 -1.211 . . . . 0.0 112.917 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.11 -57.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 118.756 1.278 . . . . 0.0 108.049 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.54 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.23 -44.78 11.39 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 121.176 1.807 . . . . 0.0 110.559 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -61.96 -45.62 92.85 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.44 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -79.24 -68.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.36 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.38 69.87 6.99 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.959 0.8 . . . . 0.0 109.743 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 122.02 0.914 . . . . 0.0 111.519 174.036 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 CA--C 1.51 -0.562 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -133.89 -53.79 0.87 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.401 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -53.64 -47.84 69.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.345 1.429 . . . . 0.0 107.804 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -65.42 -50.22 73.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -66.12 -15.79 63.4 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.112 -1.423 . . . . 0.0 111.121 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -116.26 46.37 1.59 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 107.14 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.84 -56.53 0.04 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.71 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.96 -75.81 0.31 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 107.649 -2.181 . . . . 0.0 107.649 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.52 -32.91 70.73 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.687 1.243 . . . . 0.0 110.554 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.51 -47.35 91.57 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 119.867 1.212 . . . . 0.0 112.433 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -89.16 -48.28 7.5 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.109 0.955 . . . . 0.0 110.618 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.99 -41.54 78.63 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.221 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -50.08 -38.43 14.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 120.441 1.473 . . . . 0.0 109.831 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.08 -57.32 7.03 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.84 -35.48 68.32 Favored Glycine 0 C--N 1.352 1.439 0 C-N-CA 119.61 -1.281 . . . . 0.0 113.069 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.69 -59.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 118.551 1.175 . . . . 0.0 109.156 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.02 72.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.117 -1.42 . . . . 0.0 111.172 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.88 -43.57 6.45 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.407 1.458 . . . . 0.0 111.96 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.23 -44.79 88.4 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.411 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.16 -65.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.27 57.08 0.75 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.005 0.821 . . . . 0.0 111.114 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.53 0.681 . . . . 0.0 112.782 172.45 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.651 -0.69 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -104.94 -57.08 2.08 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.058 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -50.45 -44.26 55.48 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.156 0.889 . . . . 0.0 109.447 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.1 -46.43 84.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -66.73 -20.07 65.89 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 116.577 -1.678 . . . . 0.0 111.631 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -101.32 33.54 2.87 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 121.327 1.876 . . . . 0.0 110.308 171.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.69 -58.95 0.13 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 119.469 1.032 . . . . 0.0 110.713 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.83 -72.25 0.61 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.11 -17.63 58.52 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.166 -1.397 . . . . 0.0 112.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.38 -52.69 9.99 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 120.917 1.69 . . . . 0.0 111.568 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -86.53 -45.64 10.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 117.966 0.883 . . . . 0.0 111.34 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.85 -40.12 96.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.591 -1.195 . . . . 0.0 109.995 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.69 -39.43 23.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 120.045 1.293 . . . . 0.0 109.731 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.09 -55.56 24.33 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.582 -177.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.11 -39.29 97.03 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.58 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -72.35 -59.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.43 68.0 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.329 -177.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.29 -45.02 8.46 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 120.734 1.606 . . . . 0.0 111.062 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -59.48 -48.07 83.07 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.369 -0.932 . . . . 0.0 109.009 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.91 -68.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.178 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.98 68.47 6.19 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.895 0.77 . . . . 0.0 110.039 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.355 0.82 0 CA-C-O 121.595 0.712 . . . . 0.0 112.212 173.333 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -121.33 -53.77 2.01 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.467 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.73 -42.49 83.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.602 1.092 . . . . 0.0 108.249 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.51 -48.16 89.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.08 -21.49 66.82 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.488 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -106.19 48.19 0.85 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.079 1.309 . . . . 0.0 108.809 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.02 -59.34 0.06 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.197 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.88 -79.83 0.15 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.28 -28.18 69.54 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.565 1.183 . . . . 0.0 111.132 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -53.69 32.36 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 120.163 1.347 . . . . 0.0 112.182 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -86.13 -46.01 10.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.117 0.958 . . . . 0.0 111.258 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.64 -38.76 88.89 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.62 -172.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.48 -37.76 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 109.955 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.08 -56.66 11.75 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.54 -37.39 82.34 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.59 -1.29 . . . . 0.0 112.786 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -82.16 -61.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 118.503 1.152 . . . . 0.0 108.404 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.03 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.379 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.26 8.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.545 1.521 . . . . 0.0 111.649 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.44 -45.86 87.69 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.255 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -78.61 -67.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.16 54.82 0.76 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.065 0.848 . . . . 0.0 111.375 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.354 0.787 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 171.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -94.73 -53.06 4.01 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.314 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -51.21 -47.58 62.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.619 1.1 . . . . 0.0 109.093 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.92 -48.62 81.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.061 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.63 -14.93 63.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.114 -1.422 . . . . 0.0 110.683 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -115.55 41.41 2.5 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.668 1.576 . . . . 0.0 107.786 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 -57.27 0.07 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.103 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.06 -79.52 0.15 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.52 -31.9 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.881 1.34 . . . . 0.0 110.349 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.4 52.59 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 119.893 1.224 . . . . 0.0 112.493 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -87.03 -45.88 10.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.298 1.049 . . . . 0.0 111.259 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.6 -45.08 85.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.788 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.6 p -50.47 -36.87 14.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 CA-C-N 119.896 1.225 . . . . 0.0 110.366 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -62.84 -62.05 1.99 Allowed 'General case' 0 C--N 1.353 0.756 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.07 -37.08 94.08 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -72.09 -57.82 6.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 118.903 1.352 . . . . 0.0 107.946 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.05 68.41 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.135 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.63 -43.56 8.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.618 1.554 . . . . 0.0 110.897 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.321 -0.951 . . . . 0.0 108.871 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -76.58 -68.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.53 -0.747 . . . . 0.0 109.262 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 65.38 6.83 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.073 0.851 . . . . 0.0 110.006 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.935 0.874 . . . . 0.0 111.828 174.167 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.007 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -56.52 -45.29 81.19 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.734 1.152 . . . . 0.0 108.271 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -48.39 85.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -64.86 -21.26 66.77 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.389 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.27 45.38 0.98 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.762 1.165 . . . . 0.0 108.768 172.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.77 -59.33 0.06 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.345 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.72 -81.0 0.13 Allowed Glycine 0 C--N 1.354 1.57 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.88 -31.09 69.47 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.729 1.265 . . . . 0.0 110.682 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.65 -56.88 20.51 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 119.914 1.233 . . . . 0.0 112.034 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -83.34 -46.79 12.18 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.173 0.986 . . . . 0.0 111.491 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.58 -44.34 89.78 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.289 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.79 -39.93 15.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.812 1.187 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -69.03 -50.44 48.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.768 1.167 . . . . 0.0 109.654 -174.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.98 94.81 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 119.854 -1.165 . . . . 0.0 112.033 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mm -70.94 -54.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 118.588 1.194 . . . . 0.0 108.048 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.26 64.64 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.585 -1.674 . . . . 0.0 111.598 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -36.45 -53.35 0.86 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.654 1.57 . . . . 0.0 112.662 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -54.68 -53.69 51.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.111 0.869 . . . . 0.0 110.071 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.77 -58.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.928 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.21 73.07 1.51 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.818 0.735 . . . . 0.0 110.685 -173.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.354 0.792 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 172.564 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.862 -0.589 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.81 -49.94 2.71 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.127 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -53.35 -45.0 68.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.947 1.249 . . . . 0.0 107.973 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.65 -51.74 63.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.15 -19.54 66.03 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.366 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -110.27 47.49 0.96 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.119 1.327 . . . . 0.0 107.775 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.67 -58.1 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.54 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.53 -79.01 0.18 Allowed Glycine 0 C--N 1.354 1.543 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.37 -29.4 67.66 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.504 1.152 . . . . 0.0 110.904 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.77 -55.45 24.72 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 120.084 1.311 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -83.51 -46.26 12.65 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.138 0.969 . . . . 0.0 111.317 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.15 -42.05 94.05 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.468 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.51 -38.01 20.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 119.956 1.253 . . . . 0.0 110.405 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.73 -51.71 63.74 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.52 1.055 . . . . 0.0 109.087 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.33 91.44 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 118.546 -1.141 . . . . 0.0 112.523 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.33 -55.7 11.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.9 1.35 . . . . 0.0 107.471 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.91 -18.16 55.01 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.779 -1.581 . . . . 0.0 112.171 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.33 -50.54 2.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.753 1.615 . . . . 0.0 111.385 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -64.61 -54.06 37.9 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.009 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.36 -59.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.946 -169.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.84 53.55 1.68 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.886 0.766 . . . . 0.0 110.574 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.162 0.506 . . . . 0.0 112.099 174.306 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.34 -55.65 1.84 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.834 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -59.07 -44.61 91.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -51.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.56 -19.8 66.07 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 117.48 -1.248 . . . . 0.0 110.517 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -108.71 43.21 1.27 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.341 1.428 . . . . 0.0 108.232 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.9 -57.24 0.06 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.833 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.16 -79.4 0.15 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 107.452 -2.259 . . . . 0.0 107.452 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.77 -32.4 69.26 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.772 1.286 . . . . 0.0 110.5 177.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.28 -49.96 72.9 Favored Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.54 1.064 . . . . 0.0 112.32 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -90.14 -47.2 7.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.245 1.022 . . . . 0.0 111.189 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.0 mt -56.29 -37.91 70.53 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.574 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -48.68 -40.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 120.301 1.409 . . . . 0.0 110.131 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.93 -55.23 15.52 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.122 1.328 . . . . 0.0 107.861 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -33.56 30.31 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.515 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mm -99.78 -59.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 118.749 1.275 . . . . 0.0 109.848 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.99 73.17 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.97 -1.49 . . . . 0.0 111.486 -174.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.59 -41.99 2.33 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.584 1.538 . . . . 0.0 111.521 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.09 -50.51 73.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.856 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -76.92 -67.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.53 72.0 7.41 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.037 0.835 . . . . 0.0 108.98 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.353 0.742 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -92.75 -49.81 5.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.573 1.078 . . . . 0.0 109.83 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.91 -42.13 79.37 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.178 0.899 . . . . 0.0 109.196 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.11 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.76 -22.28 66.95 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.731 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -102.39 40.73 1.31 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.866 1.212 . . . . 0.0 109.002 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.03 -58.93 0.07 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.652 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -80.34 0.12 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.63 -31.71 71.82 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 118.732 1.266 . . . . 0.0 110.553 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.44 -53.23 47.94 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-N 119.63 1.104 . . . . 0.0 112.309 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -90.08 -46.55 8.4 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.026 0.913 . . . . 0.0 111.62 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.54 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 p -49.15 -38.75 11.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.177 1.353 . . . . 0.0 110.105 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -65.91 -56.99 8.94 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.11 54.71 Favored Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.653 -1.26 . . . . 0.0 113.042 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.8 mt -88.41 -61.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 118.527 1.163 . . . . 0.0 108.788 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.34 72.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.679 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.82 4.21 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.478 1.49 . . . . 0.0 111.598 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -59.59 -45.99 90.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.389 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -76.72 -68.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.145 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.66 65.91 5.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.037 0.835 . . . . 0.0 110.087 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.354 0.784 0 CA-C-O 121.571 0.7 . . . . 0.0 112.274 174.04 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.616 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.05 -21.56 65.91 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.404 -1.284 . . . . 0.0 111.501 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.349 1.431 . . . . 0.0 110.203 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -59.48 -45.38 91.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.059 0.845 . . . . 0.0 109.234 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -46.61 95.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.41 -60.77 2.61 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.08 -50.22 73.44 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.42 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -48.79 53.93 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.101 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.79 -61.6 7.25 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.526 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -34.12 76.9 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.233 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.4 -43.7 90.06 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.281 1.4 . . . . 0.0 111.278 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -76.59 -48.73 18.27 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 118.095 0.947 . . . . 0.0 110.624 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.29 -45.15 81.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.682 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.06 -38.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 119.455 1.025 . . . . 0.0 110.19 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -66.66 -55.33 15.71 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.92 -36.94 68.32 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.641 -1.266 . . . . 0.0 112.631 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -84.89 -60.75 2.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.506 1.153 . . . . 0.0 108.699 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.13 77.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.187 -1.387 . . . . 0.0 111.455 -174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.93 -45.1 2.47 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.117 1.326 . . . . 0.0 111.907 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -57.3 -48.92 77.69 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.27 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.56 -68.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.73 72.86 9.8 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.144 0.884 . . . . 0.0 109.048 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.354 0.776 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.672 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.24 44.49 2.94 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -106.51 -62.26 1.41 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.22 -46.25 54.48 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.453 1.024 . . . . 0.0 109.587 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -54.19 33.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.15 -61.0 2.77 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.206 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 -49.83 58.51 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.416 -170.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -46.13 71.88 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.664 1.12 . . . . 0.0 109.636 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.04 -59.28 10.15 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.928 -1.13 . . . . 0.0 110.384 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.1 -33.92 76.49 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.178 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.01 92.37 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-N 120.09 1.314 . . . . 0.0 111.616 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.7 t -75.43 -45.99 35.43 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 117.92 0.86 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.74 -43.04 76.72 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.798 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.44 -39.05 27.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 119.322 0.965 . . . . 0.0 109.784 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -59.37 -60.31 4.06 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.996 1.271 . . . . 0.0 107.622 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.79 -34.25 44.29 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.395 -175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.4 mt -93.43 -62.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.706 1.253 . . . . 0.0 109.203 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.86 85.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.067 -1.444 . . . . 0.0 111.503 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.19 -43.85 2.44 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.284 1.402 . . . . 0.0 111.786 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -59.84 -48.39 81.87 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.618 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.2 t -74.66 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 71.48 6.82 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.26 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.632 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mt -106.62 53.61 0.69 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -146.16 -56.54 0.29 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -53.12 -46.21 68.67 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 168.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.91 -46.3 96.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.449 -0.786 . . . . 0.0 108.906 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -63.39 -65.62 0.66 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.56 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -55.53 -47.98 75.42 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.346 0.975 . . . . 0.0 111.676 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.45 81.59 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.038 1.29 . . . . 0.0 109.479 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.19 -70.0 1.2 Allowed Glycine 0 C--N 1.351 1.402 0 C-N-CA 120.034 -1.079 . . . . 0.0 110.718 -176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.84 -33.59 71.97 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.018 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.38 -44.07 97.98 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 120.62 1.555 . . . . 0.0 110.901 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -74.4 -47.89 31.13 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 117.977 0.889 . . . . 0.0 110.551 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.28 -43.81 76.92 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.823 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.89 -38.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.718 1.145 . . . . 0.0 110.117 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.69 -53.86 24.17 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.69 -34.83 44.73 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.078 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.93 -62.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 118.55 1.175 . . . . 0.0 108.863 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.33 78.87 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 116.913 -1.518 . . . . 0.0 111.63 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.1 -45.1 1.91 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.402 1.455 . . . . 0.0 111.932 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -58.97 -47.29 85.66 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.525 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -74.81 -68.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.82 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.05 71.87 8.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.002 0.819 . . . . 0.0 109.237 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.353 0.741 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.717 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.311 -1.272 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mt 56.74 53.21 8.56 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.258 1.029 . . . . 0.0 108.666 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -137.26 -58.01 0.7 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.143 -0.932 . . . . 0.0 108.97 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.01 -46.25 43.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.321 1.419 . . . . 0.0 109.011 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -77.09 -52.07 17.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 118.757 0.708 . . . . 0.0 109.409 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.05 -57.27 12.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.13 0.877 . . . . 0.0 110.234 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -64.56 -52.93 55.09 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.328 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -47.62 66.97 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.559 1.072 . . . . 0.0 110.086 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.11 -59.85 8.35 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.5 -35.62 81.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.97 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.21 77.58 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 120.15 1.341 . . . . 0.0 111.597 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 t -75.98 -47.2 25.91 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 117.897 0.849 . . . . 0.0 110.175 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.41 -47.64 72.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.412 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.56 -37.82 15.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 119.333 0.97 . . . . 0.0 110.077 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.11 -59.65 5.07 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.58 -36.93 91.31 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 119.519 -1.324 . . . . 0.0 112.842 -175.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.0 mt -80.15 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 118.522 1.161 . . . . 0.0 108.204 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.9 78.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.256 -1.354 . . . . 0.0 111.231 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.96 -45.23 3.73 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.185 1.357 . . . . 0.0 111.67 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -57.57 -48.89 78.12 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.088 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.79 -69.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.8 73.11 10.67 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.117 0.871 . . . . 0.0 109.063 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.886 176.347 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.6 mt -111.35 22.48 15.1 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.593 -1.194 . . . . 0.0 110.907 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -111.75 -59.24 2.01 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.07 -43.0 51.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.78 1.173 . . . . 0.0 108.413 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.76 -49.34 58.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.289 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -64.14 -63.65 1.09 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.844 1.202 . . . . 0.0 108.603 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -54.17 13.46 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.62 0.646 . . . . 0.0 110.998 -175.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -49.07 67.42 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.286 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.22 -64.17 4.64 Favored Glycine 0 C--N 1.352 1.435 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.488 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.367 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.78 -42.36 99.74 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 120.286 1.403 . . . . 0.0 111.316 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -76.79 -48.48 18.49 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 118.035 0.918 . . . . 0.0 110.064 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.23 -39.84 89.86 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.203 -173.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.38 -40.84 33.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 120.072 1.305 . . . . 0.0 109.782 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -63.65 -56.03 18.97 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.34 -35.25 27.55 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.362 -1.243 . . . . 0.0 113.476 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.0 mt -94.95 -61.88 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 118.662 1.231 . . . . 0.0 109.024 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.66 72.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.846 -1.55 . . . . 0.0 111.695 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.42 3.43 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.465 1.484 . . . . 0.0 112.235 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -55.85 -46.06 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.479 -0.889 . . . . 0.0 109.362 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -75.69 -61.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.761 0 CA-C-O 118.313 -0.851 . . . . 0.0 109.631 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.49 75.24 1.05 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.711 0.687 . . . . 0.0 110.207 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.354 0.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.444 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 tp -125.08 61.78 1.18 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -134.86 -55.77 0.82 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.993 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.63 -43.45 68.74 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.818 1.19 . . . . 0.0 107.877 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.02 -51.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.76 -59.09 5.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.318 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.63 -52.63 59.96 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.103 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.6 1.091 . . . . 0.0 110.392 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.46 -62.48 6.3 Favored Glycine 0 C--N 1.352 1.42 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.603 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.53 -34.68 78.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.597 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.33 -48.66 73.69 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 120.093 1.315 . . . . 0.0 110.656 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.3 t -70.96 -45.74 63.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.28 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.3 -54.73 15.53 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.958 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -46.71 -37.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-N 119.873 1.215 . . . . 0.0 110.547 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.26 -58.83 5.41 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.37 -35.12 83.72 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.191 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.8 mm -82.41 -59.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 118.919 1.359 . . . . 0.0 108.541 -175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.64 68.09 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.53 . . . . 0.0 111.451 -177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.01 -43.97 7.02 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.847 1.658 . . . . 0.0 111.41 -178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -59.4 -46.82 87.61 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.49 -0.884 . . . . 0.0 108.765 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.449 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.39 61.97 1.44 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.905 0.775 . . . . 0.0 110.455 -175.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.354 0.763 0 CA-C-O 121.436 0.636 . . . . 0.0 112.387 173.18 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.694 0 CA-C-O 118.572 -1.126 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -113.04 40.39 2.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 117.624 0.712 . . . . 0.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -109.56 -69.74 0.85 Allowed 'General case' 0 C--N 1.355 0.804 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -40.29 -49.06 2.72 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.316 0.962 . . . . 0.0 111.024 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.24 -47.65 80.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 119.713 -0.795 . . . . 0.0 108.894 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -64.33 -66.61 0.52 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.801 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -54.67 -37.59 65.92 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.816 -1.087 . . . . 0.0 112.856 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.21 -50.68 11.45 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.069 1.304 . . . . 0.0 109.231 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.35 -62.55 6.22 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.35 -34.41 77.66 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.518 -1.229 . . . . 0.0 109.765 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.29 95.46 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 120.375 1.443 . . . . 0.0 111.243 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -77.5 -48.64 16.57 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.978 0.889 . . . . 0.0 110.239 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.6 -44.62 86.05 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.568 -173.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -51.85 -37.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 119.693 1.133 . . . . 0.0 109.876 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.45 -55.66 14.64 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.81 -35.93 64.54 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.836 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -86.31 -61.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 118.598 1.199 . . . . 0.0 108.672 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.62 73.34 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.163 -1.399 . . . . 0.0 111.637 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.63 -43.83 2.91 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.366 1.439 . . . . 0.0 111.79 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -58.78 -49.38 77.87 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.098 -1.041 . . . . 0.0 108.6 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.19 -68.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.56 70.1 10.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.174 0.897 . . . . 0.0 109.403 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.353 0.731 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.104 176.452 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.651 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.57 39.61 0.56 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.342 1.571 . . . . 0.0 111.507 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -109.52 -52.39 2.78 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.794 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.67 -44.38 93.91 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.39 -51.28 74.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -63.03 -63.02 1.32 Allowed 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.212 -0.995 . . . . 0.0 108.96 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.43 -56.35 23.12 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.45 -169.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.24 86.88 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.558 1.072 . . . . 0.0 110.376 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.35 -63.95 4.77 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.556 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.93 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.38 -47.91 88.55 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.074 1.306 . . . . 0.0 110.314 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -68.35 -45.46 72.77 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.375 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.19 -53.5 19.7 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.06 -0.971 . . . . 0.0 109.965 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -49.17 -36.93 9.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 119.648 1.113 . . . . 0.0 110.411 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.18 -58.93 5.95 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.08 -37.48 94.54 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.652 -1.261 . . . . 0.0 112.894 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.78 -58.28 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 118.627 1.214 . . . . 0.0 108.524 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.12 72.19 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.205 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.82 -44.07 3.18 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.483 1.492 . . . . 0.0 111.555 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -59.08 -50.25 74.77 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.062 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -77.56 -67.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 72.55 7.73 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.1 0.864 . . . . 0.0 108.792 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.353 0.754 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.101 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.682 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.27 -9.39 58.53 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.457 -1.258 . . . . 0.0 112.645 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.62 -49.46 62.92 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.698 1.59 . . . . 0.0 109.377 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.096 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.11 -41.48 91.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -64.81 -67.93 0.4 Allowed 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -48.34 -55.67 10.1 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.114 0.87 . . . . 0.0 111.746 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -49.74 75.61 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.262 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.27 -67.78 1.95 Allowed Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.777 -175.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.13 -32.9 72.59 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.728 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.26 -44.26 98.32 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 120.39 1.45 . . . . 0.0 110.844 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 t -73.62 -44.91 55.77 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 117.892 0.846 . . . . 0.0 110.638 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.11 -45.39 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.709 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.48 -37.6 19.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 119.8 1.182 . . . . 0.0 109.657 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -60.27 -59.9 4.68 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.17 -36.13 80.81 Favored Glycine 0 C--N 1.352 1.429 0 C-N-CA 119.629 -1.272 . . . . 0.0 113.206 -175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.9 mt -84.28 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.578 1.189 . . . . 0.0 108.556 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.32 74.69 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 116.884 -1.531 . . . . 0.0 111.475 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.12 -46.18 2.94 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.499 1.5 . . . . 0.0 112.096 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -57.71 -46.33 84.52 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.423 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.07 -68.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.8 71.27 7.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.048 0.84 . . . . 0.0 109.825 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.354 0.8 0 CA-C-O 121.538 0.685 . . . . 0.0 112.642 173.522 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.648 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 mt 50.01 44.59 25.62 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 117.736 0.768 . . . . 0.0 109.885 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -118.55 -52.02 2.37 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.314 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -58.65 -44.65 90.16 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.205 1.366 . . . . 0.0 108.909 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.43 -53.34 37.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.76 -53.26 54.82 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.556 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -68.93 -51.9 34.89 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.62 -171.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 118.785 0.72 . . . . 0.0 110.226 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.61 7.37 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 120.22 -0.99 . . . . 0.0 110.723 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.16 -34.41 78.32 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.087 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.41 -43.86 76.75 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 120.009 1.277 . . . . 0.0 111.618 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -78.24 -48.66 15.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 117.928 0.864 . . . . 0.0 110.265 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.44 -42.07 92.81 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.141 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.95 -40.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.679 1.127 . . . . 0.0 109.832 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -62.73 -59.37 4.98 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.93 -34.2 22.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 118.351 -1.249 . . . . 0.0 113.58 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.5 mt -94.23 -62.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 118.744 1.272 . . . . 0.0 109.09 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -28.81 70.14 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.005 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.05 4.12 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.765 1.62 . . . . 0.0 111.601 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.305 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -76.6 -66.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.353 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.58 61.77 2.73 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.002 0.819 . . . . 0.0 110.385 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.354 0.777 0 CA-C-O 121.561 0.696 . . . . 0.0 111.678 173.55 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.662 0 CA-C-O 118.797 -1.002 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 mt -116.1 51.51 0.96 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -144.38 -55.84 0.35 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.771 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -53.78 -45.93 70.84 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 168.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.05 -53.26 39.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -62.24 -61.96 2.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.236 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -60.18 -47.25 86.73 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.851 -170.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.76 71.0 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.414 1.006 . . . . 0.0 109.752 -178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.52 -62.12 6.69 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.2 -32.85 72.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.905 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.51 -48.81 84.2 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 120.475 1.488 . . . . 0.0 111.04 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.6 t -71.5 -47.11 57.49 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.94 -48.43 68.62 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.435 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -52.67 -38.2 26.68 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 119.383 0.992 . . . . 0.0 109.854 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.38 -57.18 13.32 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 118.826 -1.149 . . . . 0.0 108.215 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.2 95.84 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 119.609 -1.281 . . . . 0.0 112.625 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.2 -59.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.51 70.6 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.47 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.48 -44.49 5.95 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.503 1.501 . . . . 0.0 111.248 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -59.16 -48.78 80.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.761 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.62 -69.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.67 73.32 10.27 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.134 0.879 . . . . 0.0 108.917 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.353 0.748 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.247 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 118.39 -1.228 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt 51.35 49.46 20.97 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.256 1.028 . . . . 0.0 108.606 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -145.22 -59.34 0.35 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.994 -172.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.82 -44.53 90.89 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.49 -42.76 95.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -63.72 -66.76 0.5 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -49.47 -55.34 13.58 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.569 1.077 . . . . 0.0 111.567 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.37 77.98 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.234 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.34 -68.19 1.76 Allowed Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.093 -1.051 . . . . 0.0 110.864 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.74 -35.22 75.84 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.187 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.99 94.41 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 120.21 1.368 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -70.26 -46.13 65.0 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 117.934 0.867 . . . . 0.0 110.494 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.55 -52.63 24.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.176 -173.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -48.13 -36.57 6.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.602 1.092 . . . . 0.0 110.58 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.39 -58.78 6.42 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.1 94.15 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 119.756 -1.211 . . . . 0.0 112.917 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.11 -57.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 118.756 1.278 . . . . 0.0 108.049 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -20.59 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.54 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.23 -44.78 11.39 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 121.176 1.807 . . . . 0.0 110.559 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -61.96 -45.62 92.85 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.44 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.2 t -79.24 -68.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.36 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.38 69.87 6.99 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.959 0.8 . . . . 0.0 109.743 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 122.02 0.914 . . . . 0.0 111.519 174.036 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.703 0 CA-C-O 118.689 -1.062 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt -115.74 54.75 0.8 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -133.89 -53.79 0.87 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.401 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -53.64 -47.84 69.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.345 1.429 . . . . 0.0 107.804 171.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.6 mm -65.42 -50.22 73.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -66.12 -15.79 63.4 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.112 -1.423 . . . . 0.0 111.121 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -116.26 46.37 1.59 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 107.14 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.84 -56.53 0.04 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.71 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.96 -75.81 0.31 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 107.649 -2.181 . . . . 0.0 107.649 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.52 -32.91 70.73 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.687 1.243 . . . . 0.0 110.554 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.51 -47.35 91.57 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 119.867 1.212 . . . . 0.0 112.433 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -89.16 -48.28 7.5 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.109 0.955 . . . . 0.0 110.618 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.99 -41.54 78.63 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.221 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -50.08 -38.43 14.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 120.441 1.473 . . . . 0.0 109.831 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.08 -57.32 7.03 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.84 -35.48 68.32 Favored Glycine 0 C--N 1.352 1.439 0 C-N-CA 119.61 -1.281 . . . . 0.0 113.069 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.69 -59.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 118.551 1.175 . . . . 0.0 109.156 -175.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.02 72.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.117 -1.42 . . . . 0.0 111.172 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.88 -43.57 6.45 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.407 1.458 . . . . 0.0 111.96 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.23 -44.79 88.4 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.411 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.16 -65.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.27 57.08 0.75 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.005 0.821 . . . . 0.0 111.114 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.53 0.681 . . . . 0.0 112.782 172.45 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 CA-C-O 118.16 -1.356 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.3 mt 49.03 36.49 8.67 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.739 1.269 . . . . 0.0 110.806 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -104.94 -57.08 2.08 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.058 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -50.45 -44.26 55.48 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.156 0.889 . . . . 0.0 109.447 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.1 -46.43 84.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -66.73 -20.07 65.89 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 116.577 -1.678 . . . . 0.0 111.631 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -101.32 33.54 2.87 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 121.327 1.876 . . . . 0.0 110.308 171.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.69 -58.95 0.13 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 119.469 1.032 . . . . 0.0 110.713 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.83 -72.25 0.61 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.11 -17.63 58.52 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.166 -1.397 . . . . 0.0 112.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.38 -52.69 9.99 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 120.917 1.69 . . . . 0.0 111.568 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -86.53 -45.64 10.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 117.966 0.883 . . . . 0.0 111.34 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.85 -40.12 96.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.591 -1.195 . . . . 0.0 109.995 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.69 -39.43 23.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 120.045 1.293 . . . . 0.0 109.731 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.09 -55.56 24.33 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.582 -177.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.11 -39.29 97.03 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 119.819 -1.182 . . . . 0.0 112.58 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -72.35 -59.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.43 68.0 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.329 -177.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.29 -45.02 8.46 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 120.734 1.606 . . . . 0.0 111.062 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -59.48 -48.07 83.07 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.369 -0.932 . . . . 0.0 109.009 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.91 -68.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.178 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.98 68.47 6.19 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.895 0.77 . . . . 0.0 110.039 -177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.355 0.82 0 CA-C-O 121.595 0.712 . . . . 0.0 112.212 173.333 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.651 0 CA-C-O 117.698 -1.612 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 mt 52.66 42.57 31.64 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.293 1.546 . . . . 0.0 109.751 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -121.33 -53.77 2.01 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.467 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.73 -42.49 83.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.602 1.092 . . . . 0.0 108.249 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.51 -48.16 89.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.08 -21.49 66.82 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.488 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -106.19 48.19 0.85 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.079 1.309 . . . . 0.0 108.809 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.02 -59.34 0.06 Allowed 'General case' 0 C--N 1.355 0.804 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.197 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.88 -79.83 0.15 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.28 -28.18 69.54 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 118.565 1.183 . . . . 0.0 111.132 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -53.69 32.36 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-N 120.163 1.347 . . . . 0.0 112.182 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -86.13 -46.01 10.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.117 0.958 . . . . 0.0 111.258 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.64 -38.76 88.89 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.62 -172.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.48 -37.76 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 109.955 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.08 -56.66 11.75 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.54 -37.39 82.34 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.59 -1.29 . . . . 0.0 112.786 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -82.16 -61.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 118.503 1.152 . . . . 0.0 108.404 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.03 70.01 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.379 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.26 8.96 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.545 1.521 . . . . 0.0 111.649 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.44 -45.86 87.69 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.255 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -78.61 -67.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.16 54.82 0.76 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.065 0.848 . . . . 0.0 111.375 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.354 0.787 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 171.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.641 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.95 33.26 0.67 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 118.226 1.013 . . . . 0.0 112.519 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -94.73 -53.06 4.01 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.314 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -51.21 -47.58 62.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.619 1.1 . . . . 0.0 109.093 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.92 -48.62 81.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.061 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -67.63 -14.93 63.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.114 -1.422 . . . . 0.0 110.683 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -115.55 41.41 2.5 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.668 1.576 . . . . 0.0 107.786 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 -57.27 0.07 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.103 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.06 -79.52 0.15 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.52 -31.9 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.881 1.34 . . . . 0.0 110.349 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.4 52.59 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 119.893 1.224 . . . . 0.0 112.493 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -87.03 -45.88 10.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 118.298 1.049 . . . . 0.0 111.259 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.6 -45.08 85.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.788 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.6 p -50.47 -36.87 14.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 CA-C-N 119.896 1.225 . . . . 0.0 110.366 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -62.84 -62.05 1.99 Allowed 'General case' 0 C--N 1.353 0.756 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.07 -37.08 94.08 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -72.09 -57.82 6.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 118.903 1.352 . . . . 0.0 107.946 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.05 68.41 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.135 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.63 -43.56 8.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.618 1.554 . . . . 0.0 110.897 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.321 -0.951 . . . . 0.0 108.871 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -76.58 -68.28 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.53 -0.747 . . . . 0.0 109.262 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.69 65.38 6.83 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.073 0.851 . . . . 0.0 110.006 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.935 0.874 . . . . 0.0 111.828 174.167 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.928 -0.929 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.4 mt -114.85 54.73 0.77 Allowed 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.007 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -56.52 -45.29 81.19 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.734 1.152 . . . . 0.0 108.271 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -48.39 85.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -64.86 -21.26 66.77 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.389 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.27 45.38 0.98 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.762 1.165 . . . . 0.0 108.768 172.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.77 -59.33 0.06 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.345 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.72 -81.0 0.13 Allowed Glycine 0 C--N 1.354 1.57 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.88 -31.09 69.47 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.729 1.265 . . . . 0.0 110.682 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.65 -56.88 20.51 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 119.914 1.233 . . . . 0.0 112.034 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -83.34 -46.79 12.18 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.173 0.986 . . . . 0.0 111.491 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.58 -44.34 89.78 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.289 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.79 -39.93 15.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.812 1.187 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -69.03 -50.44 48.63 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.768 1.167 . . . . 0.0 109.654 -174.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.98 94.81 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 119.854 -1.165 . . . . 0.0 112.033 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mm -70.94 -54.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-N 118.588 1.194 . . . . 0.0 108.048 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.26 64.64 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.585 -1.674 . . . . 0.0 111.598 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -36.45 -53.35 0.86 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.654 1.57 . . . . 0.0 112.662 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -54.68 -53.69 51.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.111 0.869 . . . . 0.0 110.071 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.77 -58.53 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.928 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.21 73.07 1.51 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.818 0.735 . . . . 0.0 110.685 -173.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.354 0.792 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 172.564 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.72 41.21 0.85 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 117.766 0.783 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.81 -49.94 2.71 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.127 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -53.35 -45.0 68.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.947 1.249 . . . . 0.0 107.973 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.65 -51.74 63.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.15 -19.54 66.03 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.366 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -110.27 47.49 0.96 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.119 1.327 . . . . 0.0 107.775 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.67 -58.1 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.54 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.53 -79.01 0.18 Allowed Glycine 0 C--N 1.354 1.543 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -59.37 -29.4 67.66 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.504 1.152 . . . . 0.0 110.904 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.77 -55.45 24.72 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 120.084 1.311 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -83.51 -46.26 12.65 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 118.138 0.969 . . . . 0.0 111.317 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.15 -42.05 94.05 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.468 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.51 -38.01 20.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 119.956 1.253 . . . . 0.0 110.405 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.73 -51.71 63.74 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.52 1.055 . . . . 0.0 109.087 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.4 -36.33 91.44 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 118.546 -1.141 . . . . 0.0 112.523 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.33 -55.7 11.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.9 1.35 . . . . 0.0 107.471 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.91 -18.16 55.01 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.779 -1.581 . . . . 0.0 112.171 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.33 -50.54 2.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 120.753 1.615 . . . . 0.0 111.385 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -64.61 -54.06 37.9 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.009 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.36 -59.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.946 -169.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.84 53.55 1.68 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.886 0.766 . . . . 0.0 110.574 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.355 0.807 0 CA-C-O 121.162 0.506 . . . . 0.0 112.099 174.306 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.57 49.28 0.68 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 117.73 0.765 . . . . 0.0 109.466 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.34 -55.65 1.84 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.834 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -59.07 -44.61 91.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -51.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -65.56 -19.8 66.07 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 117.48 -1.248 . . . . 0.0 110.517 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -108.71 43.21 1.27 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.341 1.428 . . . . 0.0 108.232 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.9 -57.24 0.06 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.833 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.16 -79.4 0.15 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 107.452 -2.259 . . . . 0.0 107.452 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.77 -32.4 69.26 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.772 1.286 . . . . 0.0 110.5 177.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.28 -49.96 72.9 Favored Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.54 1.064 . . . . 0.0 112.32 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -90.14 -47.2 7.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.245 1.022 . . . . 0.0 111.189 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.0 mt -56.29 -37.91 70.53 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.574 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -48.68 -40.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 CA-C-N 120.301 1.409 . . . . 0.0 110.131 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.93 -55.23 15.52 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.122 1.328 . . . . 0.0 107.861 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -33.56 30.31 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.515 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mm -99.78 -59.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 118.749 1.275 . . . . 0.0 109.848 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.99 73.17 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.97 -1.49 . . . . 0.0 111.486 -174.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.59 -41.99 2.33 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.584 1.538 . . . . 0.0 111.521 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.09 -50.51 73.78 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.856 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -76.92 -67.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.53 72.0 7.41 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.037 0.835 . . . . 0.0 108.98 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.353 0.742 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 CA-C-O 118.854 -0.97 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt 53.63 24.59 4.32 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.703 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -92.75 -49.81 5.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.573 1.078 . . . . 0.0 109.83 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.91 -42.13 79.37 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.178 0.899 . . . . 0.0 109.196 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.11 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.76 -22.28 66.95 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.731 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -102.39 40.73 1.31 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.866 1.212 . . . . 0.0 109.002 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.03 -58.93 0.07 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.652 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -80.34 0.12 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.63 -31.71 71.82 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 118.732 1.266 . . . . 0.0 110.553 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.44 -53.23 47.94 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-N 119.63 1.104 . . . . 0.0 112.309 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -90.08 -46.55 8.4 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.026 0.913 . . . . 0.0 111.62 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.54 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 p -49.15 -38.75 11.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.177 1.353 . . . . 0.0 110.105 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -65.91 -56.99 8.94 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.11 54.71 Favored Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.653 -1.26 . . . . 0.0 113.042 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.8 mt -88.41 -61.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 118.527 1.163 . . . . 0.0 108.788 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.34 72.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.679 -174.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.47 -44.82 4.21 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.478 1.49 . . . . 0.0 111.598 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -59.59 -45.99 90.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.389 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -76.72 -68.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.145 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.66 65.91 5.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.037 0.835 . . . . 0.0 110.087 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.354 0.784 0 CA-C-O 121.571 0.7 . . . . 0.0 112.274 174.04 . . . . . . . . 0 0 . 1 stop_ save_