data_2mym_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 2mym _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.366 . . . . 74.420000000000002 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -40.34 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 110.9 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -25.61 62.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 61.229999999999997 110.825 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 73.549999999999997 110.914 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.889 0.376 . . . . 74.310000000000002 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.74 3.17 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 75.120000000000005 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.549999999999997 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.945 0.402 . . . . 74.340000000000003 110.936 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.2 m -76.75 -21.96 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 72.319999999999993 111.138 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -25.0 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.89 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -39.4 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.1 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.47 -30.35 61.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.94 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.15 -54.34 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 75.010000000000005 110.844 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 74.420000000000002 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 71.129999999999995 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.44 -24.87 60.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 61.229999999999997 110.905 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 73.549999999999997 110.867 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.887 0.375 . . . . 74.310000000000002 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 3.16 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 75.120000000000005 110.923 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.549999999999997 110.915 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.007 0.432 . . . . 74.340000000000003 110.963 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -77.11 -21.41 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 111.13 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.2 ttt -85.97 -25.12 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.129999999999995 110.838 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.04 -39.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.409999999999997 111.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.51 -30.37 61.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.15 -54.29 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 110.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.040000000000006 110.915 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.917 0.389 . . . . 74.420000000000002 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.36 -39.2 68.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.17 -25.46 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 61.229999999999997 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.549999999999997 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.3 t80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.9 0.381 . . . . 74.310000000000002 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 3.3 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.120000000000005 110.901 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.549999999999997 110.918 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.994 0.426 . . . . 74.340000000000003 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.5 m -77.53 -21.59 52.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.319999999999993 111.138 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -25.07 26.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 75.129999999999995 110.843 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.99 -39.38 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.409999999999997 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.47 61.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.908 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -54.35 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.010000000000005 110.863 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.943 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.914 0.388 . . . . 74.420000000000002 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -26.09 61.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.855 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.59 -25.65 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 61.229999999999997 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.549999999999997 110.927 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.8 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.849 0.357 . . . . 74.310000000000002 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.16 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 75.120000000000005 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.549999999999997 110.916 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.022 0.439 . . . . 74.340000000000003 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.5 m -92.16 -22.3 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 72.319999999999993 111.139 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 ttt -85.69 -25.23 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.882 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.9 t -78.57 -39.28 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.26 -30.15 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.94 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.02 -54.34 10.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.010000000000005 110.852 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 74.040000000000006 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -26.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.129999999999995 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.63 -25.6 30.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 61.229999999999997 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.549999999999997 110.864 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.912 0.386 . . . . 74.310000000000002 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -0.19 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 75.120000000000005 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.549999999999997 110.879 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.983 0.421 . . . . 74.340000000000003 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.3 m -92.23 -22.27 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 72.319999999999993 111.128 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttm -85.73 -25.18 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.879 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.9 t -78.64 -39.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.119 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.33 -30.14 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.099999999999994 110.919 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.85 -54.69 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.010000000000005 110.877 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.919 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.929 0.395 . . . . 74.420000000000002 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -26.13 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 71.129999999999995 110.87 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.56 -25.63 30.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 61.229999999999997 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 73.549999999999997 110.845 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.362 . . . . 74.310000000000002 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.11 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.120000000000005 110.862 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.549999999999997 110.882 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.972 0.415 . . . . 74.340000000000003 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.4 m -92.16 -22.29 19.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.319999999999993 111.159 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.6 ttp -85.74 -25.2 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.887 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.53 -39.27 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.161 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.36 -30.16 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.885 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.79 -54.8 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.010000000000005 110.911 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.040000000000006 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 74.420000000000002 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.61 -29.11 63.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -81.61 -25.68 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 61.229999999999997 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 73.549999999999997 110.917 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.36 . . . . 74.310000000000002 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.14 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 75.120000000000005 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.549999999999997 110.896 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.925 0.393 . . . . 74.340000000000003 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.5 m -92.19 -22.35 19.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 72.319999999999993 111.127 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -25.12 26.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.6 -39.3 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 111.057 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.33 -30.05 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.923 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.02 -54.33 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.010000000000005 110.857 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.040000000000006 110.914 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.83 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -72.63 -29.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -25.73 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 61.229999999999997 110.892 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.549999999999997 110.912 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.853 0.359 . . . . 74.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -123.55 -0.12 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.120000000000005 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.549999999999997 110.879 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.981 0.419 . . . . 74.340000000000003 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.2 m -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.319999999999993 111.126 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -25.16 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 110.88 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.0 t -78.48 -39.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 111.091 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.14 -30.23 62.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.06 -53.88 11.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.010000000000005 110.888 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.040000000000006 110.857 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.897 0.38 . . . . 74.420000000000002 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -71.85 -30.21 65.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.923 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.47 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 61.229999999999997 110.876 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 73.549999999999997 110.88 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.6 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.894 0.378 . . . . 74.310000000000002 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.24 0.07 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 75.120000000000005 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.549999999999997 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.969 0.414 . . . . 74.340000000000003 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.0 m -92.06 -22.43 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 111.131 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ttp -85.66 -25.11 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.129999999999995 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.4 t -78.52 -39.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.082 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.12 -30.24 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.952 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -71.98 -53.96 11.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 110.852 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 74.040000000000006 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.906 0.384 . . . . 74.420000000000002 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -26.14 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 71.129999999999995 110.85 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -25.71 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 61.229999999999997 110.882 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.549999999999997 110.909 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 74.310000000000002 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -0.21 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.120000000000005 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.549999999999997 110.887 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.933 0.397 . . . . 74.340000000000003 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.9 m -92.15 -22.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 72.319999999999993 111.167 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.7 -25.22 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.878 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.53 -39.31 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 111.117 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.33 -30.11 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.917 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.97 -54.4 10.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 75.010000000000005 110.837 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.040000000000006 110.902 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 74.420000000000002 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -73.17 -26.55 61.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.129999999999995 110.928 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -25.72 31.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 61.229999999999997 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 73.549999999999997 110.838 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.891 0.376 . . . . 74.310000000000002 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.18 8.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 75.120000000000005 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.549999999999997 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.96 0.41 . . . . 74.340000000000003 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.0 m -92.24 -22.3 19.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 111.111 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 ttt -85.66 -25.22 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.932 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.57 -39.27 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.127 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.26 -30.18 62.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 110.917 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.05 -54.27 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 75.010000000000005 110.841 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.040000000000006 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 74.420000000000002 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -25.14 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.129999999999995 110.926 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.2 -27.19 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 61.229999999999997 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.549999999999997 110.888 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 74.310000000000002 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -122.83 0.35 9.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.549999999999997 110.883 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.97 0.414 . . . . 74.340000000000003 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.0 m -92.04 -22.38 19.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 72.319999999999993 111.166 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -85.69 -25.19 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.837 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.51 -39.35 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 73.409999999999997 111.112 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.22 -30.15 62.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.07 -53.93 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 110.843 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.040000000000006 110.91 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.929 0.395 . . . . 74.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -83.08 -29.26 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -85.13 -25.69 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 61.229999999999997 110.908 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.549999999999997 110.875 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.864 0.364 . . . . 74.310000000000002 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -122.74 0.46 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 75.120000000000005 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.549999999999997 110.913 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.936 0.398 . . . . 74.340000000000003 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.8 m -92.39 -22.0 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 111.122 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -86.17 -24.96 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 110.84 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.83 -39.13 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 111.093 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -73.95 -31.04 62.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -69.8 -56.65 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.010000000000005 110.843 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.040000000000006 110.911 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.73 -37.98 67.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 71.129999999999995 110.874 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.43 60.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 61.229999999999997 110.842 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.549999999999997 110.881 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 74.310000000000002 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -0.07 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 75.120000000000005 110.855 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 110.945 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.938 0.399 . . . . 74.340000000000003 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -75.92 -33.71 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.319999999999993 111.157 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tpt -75.65 -24.66 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.71 -40.4 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 111.151 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.38 -30.08 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -73.49 -54.12 8.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.010000000000005 110.847 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.040000000000006 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.887 0.375 . . . . 74.420000000000002 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.87 -39.47 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 71.129999999999995 110.89 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -72.27 -25.78 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 61.229999999999997 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.549999999999997 110.889 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.888 0.375 . . . . 74.310000000000002 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -131.75 3.29 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 75.120000000000005 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 71.549999999999997 110.88 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.915 0.388 . . . . 74.340000000000003 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -77.3 -21.55 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 72.319999999999993 111.149 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -85.9 -25.01 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -78.09 -39.34 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 111.127 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.46 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.947 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.0 -54.27 10.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.010000000000005 110.848 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.040000000000006 110.879 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.888 0.375 . . . . 74.420000000000002 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -25.47 32.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 71.129999999999995 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -23.14 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 61.229999999999997 110.942 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 73.549999999999997 110.855 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.859 0.362 . . . . 74.310000000000002 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -0.38 5.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.120000000000005 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.549999999999997 110.88 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.964 0.412 . . . . 74.340000000000003 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 t -76.75 -33.7 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 72.319999999999993 111.1 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -24.55 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.96 -40.24 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.409999999999997 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.53 -30.07 61.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -73.38 -54.58 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 75.010000000000005 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.040000000000006 110.902 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.935 0.398 . . . . 74.420000000000002 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -79.9 -29.48 39.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -27.1 26.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 61.229999999999997 110.881 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.549999999999997 110.876 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.866 0.365 . . . . 74.310000000000002 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.62 2.33 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.120000000000005 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.549999999999997 110.92 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.036 0.446 . . . . 74.340000000000003 110.974 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -74.73 -22.53 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 72.319999999999993 111.145 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.129999999999995 110.893 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -78.01 -39.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.46 -30.47 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.92 -54.79 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 75.010000000000005 110.874 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.040000000000006 110.917 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 74.420000000000002 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -40.84 66.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.129999999999995 110.847 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -70.45 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 61.229999999999997 110.856 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 73.549999999999997 110.896 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.873 0.368 . . . . 74.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -131.57 3.56 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.120000000000005 110.837 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.549999999999997 110.887 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.340000000000003 110.93 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.5 m -77.41 -21.96 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 111.151 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tpt -85.67 -25.04 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.7 t -77.93 -39.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 111.089 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.38 -30.48 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.896 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -53.76 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 75.010000000000005 110.919 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 110.884 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.933 0.397 . . . . 74.420000000000002 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.6 -41.84 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.86 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.43 -25.56 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 61.229999999999997 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 73.549999999999997 110.901 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.0 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.932 0.396 . . . . 74.310000000000002 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -133.0 0.33 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 75.120000000000005 110.863 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.549999999999997 110.855 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.983 0.42 . . . . 74.340000000000003 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -76.6 -22.28 54.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 72.319999999999993 111.148 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ttt -85.29 -24.98 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 110.858 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.92 -39.52 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 111.09 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.41 -30.43 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.04 -54.34 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.010000000000005 110.862 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 74.420000000000002 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -82.13 -28.82 32.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.129999999999995 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -84.59 -26.86 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 61.229999999999997 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 73.549999999999997 110.901 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 74.310000000000002 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -122.83 0.46 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.120000000000005 110.856 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 71.549999999999997 110.896 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.988 0.423 . . . . 74.340000000000003 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -92.13 -22.3 19.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 72.319999999999993 111.14 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.4 ttm -85.78 -25.15 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 75.129999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -78.57 -39.28 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 -30.16 61.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -71.97 -54.34 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.010000000000005 110.884 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.040000000000006 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 64.340000000000003 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.0 -42.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.109999999999999 110.851 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.54 -129.71 4.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 75.129999999999995 112.465 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.4 tp -177.76 -49.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 74.319999999999993 110.892 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -57.49 -29.99 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -40.34 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 110.9 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -25.61 62.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 61.229999999999997 110.825 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.474 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 0.4 OUTLIER -79.78 -32.67 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 73.549999999999997 110.914 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.431 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -87.42 -7.22 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 110.898 -2.865 . . . . 74.310000000000002 110.956 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.74 3.17 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 75.120000000000005 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.632 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 0.3 OUTLIER -129.07 -30.82 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.549999999999997 110.876 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.431 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -32.41 72.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 110.879 -2.873 . . . . 74.340000000000003 110.936 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.2 m -76.75 -21.96 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 72.319999999999993 111.138 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -25.0 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.89 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -39.4 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.1 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.47 -30.35 61.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.94 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.15 -54.34 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 75.010000000000005 110.844 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.797 0.332 . . . . 64.340000000000003 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -38.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.841 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.01 26.17 7.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 75.129999999999995 112.497 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.6 tp -179.21 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.319999999999993 110.928 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -51.9 -31.61 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.835 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 71.129999999999995 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.44 -24.87 60.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 61.229999999999997 110.905 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 0.1 OUTLIER -80.95 -32.44 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 73.549999999999997 110.867 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.453 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -87.38 -7.81 57.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 110.892 -2.867 . . . . 74.310000000000002 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 3.16 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 75.120000000000005 110.923 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.647 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 1.1 t-20 -129.04 -30.7 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.549999999999997 110.915 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.453 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -33.17 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.856 -2.884 . . . . 74.340000000000003 110.963 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -77.11 -21.41 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 111.13 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.2 ttt -85.97 -25.12 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.129999999999995 110.838 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.04 -39.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.409999999999997 111.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.51 -30.37 61.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.15 -54.29 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 110.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.040000000000006 110.915 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 64.340000000000003 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -69.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.86 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.2 78.97 1.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 75.129999999999995 112.477 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.13 25.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 74.319999999999993 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.79 -33.96 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 110.852 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.36 -39.2 68.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.17 -25.46 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 61.229999999999997 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 0.0 OUTLIER -79.79 -32.41 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.549999999999997 110.855 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.421 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -87.38 -7.25 57.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 110.898 -2.865 . . . . 74.310000000000002 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 3.3 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.120000000000005 110.901 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.646 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 12.7 t30 -129.27 -30.81 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.549999999999997 110.918 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.421 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.21 -31.72 71.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 110.92 -2.855 . . . . 74.340000000000003 110.952 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.5 m -77.53 -21.59 52.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.319999999999993 111.138 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -25.07 26.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 75.129999999999995 110.843 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.99 -39.38 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.409999999999997 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.47 61.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.908 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -54.35 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.010000000000005 110.863 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.943 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 64.340000000000003 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.869 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.28 -109.41 0.32 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 75.129999999999995 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.99 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 74.319999999999993 110.903 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -34.51 63.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -26.09 61.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.855 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.59 -25.65 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 61.229999999999997 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -32.99 42.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.549999999999997 110.927 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.298 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -66.95 -11.68 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 110.947 -2.842 . . . . 74.310000000000002 110.916 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.16 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 75.120000000000005 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.405 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 1.2 t-20 -140.84 26.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.549999999999997 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.298 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -19.72 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.932 -2.849 . . . . 74.340000000000003 110.948 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.5 m -92.16 -22.3 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 72.319999999999993 111.139 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 ttt -85.69 -25.23 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.882 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.9 t -78.57 -39.28 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.26 -30.15 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.94 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.02 -54.34 10.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.010000000000005 110.852 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 74.040000000000006 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.846 0.355 . . . . 64.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -46.91 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.96 69.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 75.129999999999995 112.47 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -44.81 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 74.319999999999993 110.921 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -34.6 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.848 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -26.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.129999999999995 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.63 -25.6 30.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 61.229999999999997 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.56 -33.01 42.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.549999999999997 110.864 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.287 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -66.94 -11.67 57.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.881 -2.872 . . . . 74.310000000000002 110.942 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -0.19 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 75.120000000000005 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.407 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 5.0 t-20 -140.8 26.7 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.549999999999997 110.879 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.287 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.61 -19.72 59.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 110.949 -2.841 . . . . 74.340000000000003 110.902 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.3 m -92.23 -22.27 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 72.319999999999993 111.128 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttm -85.73 -25.18 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.879 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.9 t -78.64 -39.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.119 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.33 -30.14 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.099999999999994 110.919 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.85 -54.69 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.010000000000005 110.877 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.919 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 64.340000000000003 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.62 -46.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.12 134.48 5.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.489 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.92 -48.77 78.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 74.319999999999993 110.898 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -34.59 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.857 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -26.13 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 71.129999999999995 110.87 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.56 -25.63 30.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 61.229999999999997 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -33.1 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 73.549999999999997 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.305 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -66.93 -11.7 57.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.941 -2.845 . . . . 74.310000000000002 110.907 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.11 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.120000000000005 110.862 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 0.1 OUTLIER -140.9 26.68 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.549999999999997 110.882 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.305 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -19.67 58.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.86 -2.882 . . . . 74.340000000000003 110.894 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.4 m -92.16 -22.29 19.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.319999999999993 111.159 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.6 ttp -85.74 -25.2 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.887 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.53 -39.27 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.161 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.36 -30.16 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.885 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.79 -54.8 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.010000000000005 110.911 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.040000000000006 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 64.340000000000003 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.3 -60.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.871 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.3 160.35 22.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 75.129999999999995 112.518 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.91 25.65 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 74.319999999999993 110.88 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -36.91 17.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.61 -29.11 63.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -81.61 -25.68 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 61.229999999999997 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -78.64 -33.0 47.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 73.549999999999997 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.299 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -66.96 -11.66 57.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 110.914 -2.857 . . . . 74.310000000000002 110.928 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.14 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 75.120000000000005 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.406 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 1.9 t30 -140.82 26.67 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.549999999999997 110.896 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.299 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.7 -19.66 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 110.898 -2.865 . . . . 74.340000000000003 110.908 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.5 m -92.19 -22.35 19.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 72.319999999999993 111.127 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -25.12 26.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.6 -39.3 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 111.057 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.33 -30.05 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.923 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.02 -54.33 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.010000000000005 110.857 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.040000000000006 110.914 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 64.340000000000003 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.5 -34.9 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.109999999999999 110.862 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.03 -33.92 2.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 75.129999999999995 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt 58.91 25.76 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.364 . . . . 74.319999999999993 110.931 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m -87.05 -36.96 17.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.83 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -72.63 -29.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -25.73 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 61.229999999999997 110.892 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.69 -32.96 47.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.549999999999997 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.296 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -66.94 -11.67 57.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 110.947 -2.842 . . . . 74.310000000000002 110.894 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -123.55 -0.12 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.120000000000005 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 0.6 OUTLIER -140.88 26.71 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.549999999999997 110.879 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.296 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -19.73 58.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 110.915 -2.857 . . . . 74.340000000000003 110.93 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.2 m -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.319999999999993 111.126 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -25.16 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 110.88 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.0 t -78.48 -39.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 111.091 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.14 -30.23 62.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.06 -53.88 11.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.010000000000005 110.888 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.040000000000006 110.857 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.9 t30 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.828 0.347 . . . . 64.340000000000003 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.37 -35.9 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.2 126.29 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 75.129999999999995 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.8 mt 59.48 25.83 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 74.319999999999993 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 -36.87 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.848 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -71.85 -30.21 65.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.923 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.47 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 61.229999999999997 110.876 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -78.23 -32.63 49.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 73.549999999999997 110.88 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.307 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -66.69 -11.96 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 110.909 -2.86 . . . . 74.310000000000002 110.93 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.24 0.07 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 75.120000000000005 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.401 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 0.1 OUTLIER -141.07 26.71 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.549999999999997 110.873 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.307 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.7 -19.73 58.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 110.898 -2.864 . . . . 74.340000000000003 110.913 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.0 m -92.06 -22.43 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 111.131 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ttp -85.66 -25.11 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.129999999999995 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.4 t -78.52 -39.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.082 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.12 -30.24 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.952 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -71.98 -53.96 11.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 110.852 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 74.040000000000006 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.357 . . . . 64.340000000000003 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -35.95 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.824 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.17 -131.93 7.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.681 -0.771 . . . . 75.129999999999995 112.464 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.13 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 74.319999999999993 110.905 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -34.55 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 110.914 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -26.14 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 71.129999999999995 110.85 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -25.71 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 61.229999999999997 110.882 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.48 -33.08 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.549999999999997 110.909 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.3 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -66.9 -11.71 56.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 110.928 -2.851 . . . . 74.310000000000002 110.942 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -0.21 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.120000000000005 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 1.0 OUTLIER -140.81 26.68 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.549999999999997 110.887 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.3 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -19.74 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.936 -2.847 . . . . 74.340000000000003 110.902 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.9 m -92.15 -22.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 72.319999999999993 111.167 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.7 -25.22 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.878 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.53 -39.31 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 111.117 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.33 -30.11 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.917 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.97 -54.4 10.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 75.010000000000005 110.837 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.040000000000006 110.902 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.367 . . . . 64.340000000000003 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.13 -66.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 74.109999999999999 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.18 -159.11 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 75.129999999999995 112.541 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.96 26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 74.319999999999993 110.923 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -85.43 -37.9 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -73.17 -26.55 61.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.129999999999995 110.928 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -25.72 31.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 61.229999999999997 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.41 -33.07 42.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 73.549999999999997 110.838 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.305 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -67.03 -11.6 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 110.89 -2.868 . . . . 74.310000000000002 110.937 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.18 8.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 75.120000000000005 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 0.6 OUTLIER -140.85 26.6 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.549999999999997 110.841 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.305 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -19.66 58.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 110.909 -2.86 . . . . 74.340000000000003 110.945 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.0 m -92.24 -22.3 19.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 111.111 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 ttt -85.66 -25.22 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.932 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.57 -39.27 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.127 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.26 -30.18 62.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 110.917 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.05 -54.27 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 75.010000000000005 110.841 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.040000000000006 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 64.340000000000003 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.48 -47.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 110.852 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.63 -111.63 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.483 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.19 24.95 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 74.319999999999993 110.891 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -26.22 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -25.14 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.129999999999995 110.926 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.2 -27.19 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 61.229999999999997 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 21.3 pt-20 -80.92 -31.28 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.549999999999997 110.888 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.298 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -66.44 -12.44 57.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 110.915 -2.857 . . . . 74.310000000000002 110.891 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -122.83 0.35 9.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -141.38 26.88 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.549999999999997 110.883 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.298 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -19.63 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 110.898 -2.864 . . . . 74.340000000000003 110.915 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.0 m -92.04 -22.38 19.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 72.319999999999993 111.166 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -85.69 -25.19 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.837 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.51 -39.35 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 73.409999999999997 111.112 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.22 -30.15 62.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.07 -53.93 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 110.843 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.040000000000006 110.91 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.8 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 64.340000000000003 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -30.35 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.91 -142.87 17.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 75.129999999999995 112.48 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mp 60.53 25.45 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 74.319999999999993 110.93 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -87.93 -22.43 24.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.883 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -83.08 -29.26 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -85.13 -25.69 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 61.229999999999997 110.908 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 1.2 pp20? -82.89 -30.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.549999999999997 110.875 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.292 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.27 -12.63 57.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 110.915 -2.857 . . . . 74.310000000000002 110.934 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -122.74 0.46 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 75.120000000000005 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -141.44 26.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.549999999999997 110.913 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.292 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -19.57 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 110.935 -2.848 . . . . 74.340000000000003 110.924 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.8 m -92.39 -22.0 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 111.122 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -86.17 -24.96 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 110.84 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.83 -39.13 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 111.093 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -73.95 -31.04 62.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -69.8 -56.65 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.010000000000005 110.843 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.040000000000006 110.911 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 64.340000000000003 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.17 -54.02 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.858 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.35 -130.99 1.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 75.129999999999995 112.486 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp 59.66 23.66 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 74.319999999999993 110.939 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -89.35 -33.89 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.892 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.73 -37.98 67.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 71.129999999999995 110.874 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.43 60.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 61.229999999999997 110.842 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 0.0 OUTLIER -80.28 -32.32 38.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.549999999999997 110.881 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.437 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -87.48 -8.0 56.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.906 -2.861 . . . . 74.310000000000002 110.887 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -0.07 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 75.120000000000005 110.855 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.643 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 1.8 t30 -125.74 -30.66 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 110.945 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.437 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -31.58 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 110.889 -2.869 . . . . 74.340000000000003 110.894 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -75.92 -33.71 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.319999999999993 111.157 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tpt -75.65 -24.66 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.71 -40.4 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 111.151 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.38 -30.08 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -73.49 -54.12 8.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.010000000000005 110.847 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.040000000000006 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.861 0.362 . . . . 64.340000000000003 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.78 -43.63 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.109999999999999 110.842 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.83 -25.9 25.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.505 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.39 34.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 74.319999999999993 110.91 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -103.84 -33.77 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.420000000000002 110.84 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.87 -39.47 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 71.129999999999995 110.89 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -72.27 -25.78 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 61.229999999999997 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.472 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 52.7 tt0 -79.45 -32.3 42.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.549999999999997 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.408 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -87.46 -7.18 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.905 -2.861 . . . . 74.310000000000002 110.892 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -131.75 3.29 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 75.120000000000005 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.636 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 7.2 t-20 -129.21 -30.88 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 71.549999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.408 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -31.93 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 110.896 -2.865 . . . . 74.340000000000003 110.89 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -77.3 -21.55 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 72.319999999999993 111.149 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -85.9 -25.01 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -78.09 -39.34 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 111.127 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.46 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.947 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.0 -54.27 10.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.010000000000005 110.848 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.040000000000006 110.879 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.844 0.354 . . . . 64.340000000000003 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.65 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.832 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.45 -19.74 49.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 75.129999999999995 112.48 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.04 24.68 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 74.319999999999993 110.875 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -90.67 -26.43 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -25.47 32.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 71.129999999999995 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -23.14 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 61.229999999999997 110.942 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.456 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 18.5 pt-20 -86.04 -31.1 22.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 73.549999999999997 110.855 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.39 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.31 -9.85 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.949 -2.841 . . . . 74.310000000000002 110.88 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -0.38 5.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.120000000000005 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.637 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 8.4 t30 -125.08 -30.65 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.549999999999997 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.39 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -30.79 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.919 -2.855 . . . . 74.340000000000003 110.918 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 t -76.75 -33.7 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 72.319999999999993 111.1 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -24.55 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.96 -40.24 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.409999999999997 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.53 -30.07 61.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -73.38 -54.58 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 75.010000000000005 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.040000000000006 110.902 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 64.340000000000003 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.39 -67.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.852 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.53 -128.18 0.96 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 75.129999999999995 112.512 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -3.19 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 74.319999999999993 110.923 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -24.46 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.879 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -79.9 -29.48 39.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -27.1 26.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 61.229999999999997 110.881 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.458 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 0.4 OUTLIER -82.14 -30.59 30.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.549999999999997 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.432 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -87.24 -9.29 55.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 110.938 -2.846 . . . . 74.310000000000002 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.62 2.33 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.120000000000005 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.643 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 3.2 t-20 -127.98 -30.63 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.549999999999997 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.432 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -34.45 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.888 -2.869 . . . . 74.340000000000003 110.974 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -74.73 -22.53 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 72.319999999999993 111.145 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.129999999999995 110.893 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -78.01 -39.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.46 -30.47 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.92 -54.79 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 75.010000000000005 110.874 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.040000000000006 110.917 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 64.340000000000003 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 -58.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.854 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.19 77.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 75.129999999999995 112.485 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.4 tp -177.9 -45.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 110.94 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -29.86 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.855 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -40.84 66.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.129999999999995 110.847 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -70.45 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 61.229999999999997 110.856 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.47 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 0.8 OUTLIER -79.5 -32.54 42.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 73.549999999999997 110.896 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.424 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -87.45 -7.04 58.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.941 -2.845 . . . . 74.310000000000002 110.894 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -131.57 3.56 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.120000000000005 110.837 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.632 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 1.5 t30 -129.62 -31.77 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.549999999999997 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.424 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.59 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 110.934 -2.848 . . . . 74.340000000000003 110.93 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.5 m -77.41 -21.96 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 111.151 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tpt -85.67 -25.04 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.7 t -77.93 -39.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 111.089 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.38 -30.48 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.896 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -53.76 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 75.010000000000005 110.919 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 110.884 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.5 t30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 64.340000000000003 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.95 -59.98 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.87 -112.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 75.129999999999995 112.473 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.68 26.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.359 . . . . 74.319999999999993 110.948 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -89.48 -33.57 16.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.6 -41.84 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.86 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.43 -25.56 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 61.229999999999997 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.473 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 4.5 mt-10 -78.83 -32.74 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 73.549999999999997 110.901 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.356 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -89.36 -3.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 110.891 -2.868 . . . . 74.310000000000002 110.965 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -133.0 0.33 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 75.120000000000005 110.863 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.644 ' O ' ' CB1' ' A' ' 13' ' ' MK8 . 13.5 m-20 -129.08 -28.87 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.549999999999997 110.855 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.356 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -32.32 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.896 -2.866 . . . . 74.340000000000003 110.919 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -76.6 -22.28 54.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 72.319999999999993 111.148 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ttt -85.29 -24.98 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 110.858 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.92 -39.52 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 111.09 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.41 -30.43 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.04 -54.34 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.010000000000005 110.862 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.358 . . . . 64.340000000000003 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.01 -58.18 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.109999999999999 110.855 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.87 127.88 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.759 . . . . 75.129999999999995 112.425 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.06 35.15 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 74.319999999999993 110.929 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.66 -24.62 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.835 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -82.13 -28.82 32.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.129999999999995 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -84.59 -26.86 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 61.229999999999997 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' O ' ' CB1' ' A' ' 9' ' ' MK8 . 12.6 pt-20 -81.42 -31.22 33.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 73.549999999999997 110.901 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MK8 . . . . . 1.305 ' CE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.42 -12.47 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 110.904 -2.862 . . . . 74.310000000000002 110.913 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -122.83 0.46 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.120000000000005 110.856 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -141.4 26.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 71.549999999999997 110.896 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MK8 . . . . . 1.305 ' CE ' ' CE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -19.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.869 -2.878 . . . . 74.340000000000003 110.911 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -92.13 -22.3 19.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 72.319999999999993 111.14 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.4 ttm -85.78 -25.15 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 75.129999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -78.57 -39.28 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 -30.16 61.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -71.97 -54.34 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.010000000000005 110.884 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.040000000000006 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.366 . . . . 74.420000000000002 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -40.34 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 110.9 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -25.61 62.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 54.229999999999997 110.825 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 64.129999999999995 110.914 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.889 0.376 . . . . 74.310000000000002 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.74 3.17 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 63.340000000000003 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.409999999999997 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.945 0.402 . . . . 74.340000000000003 110.936 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.2 m -76.75 -21.96 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 72.310000000000002 111.138 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -25.0 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.89 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -39.4 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.1 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.47 -30.35 61.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.94 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.15 -54.34 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.140000000000001 110.844 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 70.120000000000005 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 74.420000000000002 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 71.129999999999995 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.44 -24.87 60.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 54.229999999999997 110.905 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 64.129999999999995 110.867 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.887 0.375 . . . . 74.310000000000002 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 3.16 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 63.340000000000003 110.923 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.915 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.007 0.432 . . . . 74.340000000000003 110.963 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -77.11 -21.41 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 111.13 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.2 ttt -85.97 -25.12 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.129999999999995 110.838 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.04 -39.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.409999999999997 111.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.51 -30.37 61.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.15 -54.29 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.140000000000001 110.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.120000000000005 110.915 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.917 0.389 . . . . 74.420000000000002 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.36 -39.2 68.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.17 -25.46 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 54.229999999999997 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 64.129999999999995 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.3 t80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.9 0.381 . . . . 74.310000000000002 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 3.3 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 63.340000000000003 110.901 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 110.918 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.994 0.426 . . . . 74.340000000000003 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.5 m -77.53 -21.59 52.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.310000000000002 111.138 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -25.07 26.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 75.129999999999995 110.843 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.99 -39.38 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.409999999999997 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.47 61.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.908 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -54.35 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 65.140000000000001 110.863 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 110.943 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.914 0.388 . . . . 74.420000000000002 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -26.09 61.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.855 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.59 -25.65 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 54.229999999999997 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.927 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 84.8 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.849 0.357 . . . . 74.310000000000002 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.16 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 63.340000000000003 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.409999999999997 110.916 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.022 0.439 . . . . 74.340000000000003 110.948 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.5 m -92.16 -22.3 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 72.310000000000002 111.139 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 ttt -85.69 -25.23 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.882 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.9 t -78.57 -39.28 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.26 -30.15 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.94 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.02 -54.34 10.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 110.852 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 70.120000000000005 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -26.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.129999999999995 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.63 -25.6 30.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 54.229999999999997 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 64.129999999999995 110.864 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 88.2 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.912 0.386 . . . . 74.310000000000002 110.942 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -0.19 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 63.340000000000003 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.879 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.983 0.421 . . . . 74.340000000000003 110.902 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.409 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.3 m -92.23 -22.27 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 72.310000000000002 111.128 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttm -85.73 -25.18 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.879 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.9 t -78.64 -39.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.119 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.33 -30.14 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.099999999999994 110.919 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.85 -54.69 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.140000000000001 110.877 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.120000000000005 110.919 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.929 0.395 . . . . 74.420000000000002 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -26.13 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 71.129999999999995 110.87 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.56 -25.63 30.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 54.229999999999997 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 64.129999999999995 110.845 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 85.4 t80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.362 . . . . 74.310000000000002 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.11 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 63.340000000000003 110.862 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.409999999999997 110.882 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.972 0.415 . . . . 74.340000000000003 110.894 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.403 ' HA ' HD23 ' A' ' 18' ' ' LEU . 95.4 m -92.16 -22.29 19.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 111.159 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.6 ttp -85.74 -25.2 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.887 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.53 -39.27 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.161 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.36 -30.16 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.79 -54.8 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 65.140000000000001 110.911 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 74.420000000000002 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.61 -29.11 63.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -81.61 -25.68 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 54.229999999999997 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 64.129999999999995 110.917 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 89.1 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.36 . . . . 74.310000000000002 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.14 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 63.340000000000003 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.896 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.925 0.393 . . . . 74.340000000000003 110.908 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.406 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.5 m -92.19 -22.35 19.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 72.310000000000002 111.127 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -25.12 26.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.6 -39.3 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 111.057 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.33 -30.05 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.923 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.02 -54.33 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.857 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.914 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.83 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -72.63 -29.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -25.73 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 54.229999999999997 110.892 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 110.912 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 86.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.853 0.359 . . . . 74.310000000000002 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -123.55 -0.12 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 63.340000000000003 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.879 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.981 0.419 . . . . 74.340000000000003 110.93 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.2 m -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.310000000000002 111.126 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -25.16 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 110.88 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.0 t -78.48 -39.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 111.091 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.14 -30.23 62.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.06 -53.88 11.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 65.140000000000001 110.888 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.120000000000005 110.857 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.897 0.38 . . . . 74.420000000000002 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -71.85 -30.21 65.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.923 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.47 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 54.229999999999997 110.876 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.88 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 48.6 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.894 0.378 . . . . 74.310000000000002 110.93 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.24 0.07 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.340000000000003 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.969 0.414 . . . . 74.340000000000003 110.913 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.0 m -92.06 -22.43 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 111.131 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ttp -85.66 -25.11 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.129999999999995 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.4 t -78.52 -39.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.082 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.12 -30.24 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.952 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -71.98 -53.96 11.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 65.140000000000001 110.852 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.906 0.384 . . . . 74.420000000000002 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -26.14 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 71.129999999999995 110.85 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -25.71 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 54.229999999999997 110.882 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.129999999999995 110.909 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 88.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 74.310000000000002 110.942 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -0.21 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 63.340000000000003 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.887 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.933 0.397 . . . . 74.340000000000003 110.902 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.407 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.9 m -92.15 -22.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 72.310000000000002 111.167 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.7 -25.22 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.878 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.53 -39.31 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 111.117 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.33 -30.11 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.97 -54.4 10.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 65.140000000000001 110.837 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.120000000000005 110.902 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 74.420000000000002 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -73.17 -26.55 61.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.129999999999995 110.928 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -25.72 31.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 54.229999999999997 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.838 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 81.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.891 0.376 . . . . 74.310000000000002 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.18 8.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 63.340000000000003 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.96 0.41 . . . . 74.340000000000003 110.945 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.0 m -92.24 -22.3 19.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 72.310000000000002 111.111 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 ttt -85.66 -25.22 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.932 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.57 -39.27 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.127 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.26 -30.18 62.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 110.917 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.05 -54.27 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 65.140000000000001 110.841 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 70.120000000000005 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 74.420000000000002 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -25.14 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.129999999999995 110.926 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.2 -27.19 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 54.229999999999997 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 64.129999999999995 110.888 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 74.310000000000002 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -122.83 0.35 9.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 63.340000000000003 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.409999999999997 110.883 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.97 0.414 . . . . 74.340000000000003 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 95.0 m -92.04 -22.38 19.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 72.310000000000002 111.166 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -85.69 -25.19 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.837 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.51 -39.35 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 73.409999999999997 111.112 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.22 -30.15 62.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.909 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.07 -53.93 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 65.140000000000001 110.843 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 70.120000000000005 110.91 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.929 0.395 . . . . 74.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -83.08 -29.26 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -85.13 -25.69 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 54.229999999999997 110.908 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.875 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.864 0.364 . . . . 74.310000000000002 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -122.74 0.46 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 63.340000000000003 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.409999999999997 110.913 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.936 0.398 . . . . 74.340000000000003 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' HD23 ' A' ' 18' ' ' LEU . 98.8 m -92.39 -22.0 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.310000000000002 111.122 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -86.17 -24.96 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 110.84 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.83 -39.13 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 111.093 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -73.95 -31.04 62.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.929 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -69.8 -56.65 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 65.140000000000001 110.843 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.911 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.73 -37.98 67.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 71.129999999999995 110.874 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.43 60.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 54.229999999999997 110.842 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.129999999999995 110.881 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 74.310000000000002 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -0.07 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 63.340000000000003 110.855 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.945 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.938 0.399 . . . . 74.340000000000003 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.45 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.2 t -75.92 -33.71 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.310000000000002 111.157 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tpt -75.65 -24.66 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.71 -40.4 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 111.151 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.38 -30.08 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.892 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -73.49 -54.12 8.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 65.140000000000001 110.847 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 70.120000000000005 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.887 0.375 . . . . 74.420000000000002 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.87 -39.47 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 71.129999999999995 110.89 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -72.27 -25.78 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 54.229999999999997 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 64.129999999999995 110.889 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.888 0.375 . . . . 74.310000000000002 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -131.75 3.29 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 63.340000000000003 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.88 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.915 0.388 . . . . 74.340000000000003 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -77.3 -21.55 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 72.310000000000002 111.149 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -85.9 -25.01 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -78.09 -39.34 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 111.127 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.46 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.947 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.0 -54.27 10.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 65.140000000000001 110.848 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.120000000000005 110.879 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.888 0.375 . . . . 74.420000000000002 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -25.47 32.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 71.129999999999995 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -23.14 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 54.229999999999997 110.942 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 64.129999999999995 110.855 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.859 0.362 . . . . 74.310000000000002 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -0.38 5.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.340000000000003 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 110.88 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.964 0.412 . . . . 74.340000000000003 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.459 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.3 t -76.75 -33.7 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 72.310000000000002 111.1 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -24.55 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.96 -40.24 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.409999999999997 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.53 -30.07 61.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 110.881 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -73.38 -54.58 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 65.140000000000001 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 70.120000000000005 110.902 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.935 0.398 . . . . 74.420000000000002 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -79.9 -29.48 39.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -27.1 26.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 54.229999999999997 110.881 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 64.129999999999995 110.876 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.866 0.365 . . . . 74.310000000000002 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.62 2.33 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 63.340000000000003 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.92 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.036 0.446 . . . . 74.340000000000003 110.974 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -74.73 -22.53 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 72.310000000000002 111.145 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.129999999999995 110.893 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -78.01 -39.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.46 -30.47 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.92 -54.79 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 65.140000000000001 110.874 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 70.120000000000005 110.917 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 74.420000000000002 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -40.84 66.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.129999999999995 110.847 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -70.45 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 54.229999999999997 110.856 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.129999999999995 110.896 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.873 0.368 . . . . 74.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -131.57 3.56 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 63.340000000000003 110.837 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.409999999999997 110.887 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.340000000000003 110.93 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.5 m -77.41 -21.96 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.310000000000002 111.151 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tpt -85.67 -25.04 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.7 t -77.93 -39.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 111.089 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.38 -30.48 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.896 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -53.76 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 65.140000000000001 110.919 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 70.120000000000005 110.884 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.933 0.397 . . . . 74.420000000000002 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.6 -41.84 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.86 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.43 -25.56 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 54.229999999999997 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 64.129999999999995 110.901 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.0 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.932 0.396 . . . . 74.310000000000002 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -133.0 0.33 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 63.340000000000003 110.863 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.409999999999997 110.855 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.983 0.42 . . . . 74.340000000000003 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -76.6 -22.28 54.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 72.310000000000002 111.148 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ttt -85.29 -24.98 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 110.858 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.92 -39.52 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 111.09 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.41 -30.43 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.04 -54.34 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 65.140000000000001 110.862 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 74.420000000000002 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -82.13 -28.82 32.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.129999999999995 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -84.59 -26.86 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 54.229999999999997 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.129999999999995 110.901 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 89.5 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 74.310000000000002 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -122.83 0.46 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.340000000000003 110.856 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 71.409999999999997 110.896 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.988 0.423 . . . . 74.340000000000003 110.911 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -92.13 -22.3 19.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 72.310000000000002 111.14 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.4 ttm -85.78 -25.15 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 75.129999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -78.57 -39.28 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 -30.16 61.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -71.97 -54.34 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.884 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.120000000000005 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 64.340000000000003 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.0 -42.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.851 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.54 -129.71 4.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 75.129999999999995 112.465 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.4 tp -177.76 -49.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 74.040000000000006 110.892 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -57.49 -29.99 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -40.34 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 110.9 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -25.61 62.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 54.229999999999997 110.825 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.687 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.4 OUTLIER -79.78 -32.67 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 64.129999999999995 110.914 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.493 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -87.42 -7.22 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 110.898 -2.865 . . . . 74.310000000000002 110.956 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.74 3.17 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 63.340000000000003 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.744 ' O ' HB1A ' A' ' 13' ' ' MK8 . 0.3 OUTLIER -129.07 -30.82 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.409999999999997 110.876 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.493 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -32.41 72.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 110.879 -2.873 . . . . 74.340000000000003 110.936 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.2 m -76.75 -21.96 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 72.310000000000002 111.138 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -25.0 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.89 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 13' ' ' MK8 . 60.6 t -78.0 -39.4 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.1 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.47 -30.35 61.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.94 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.15 -54.34 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.140000000000001 110.844 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 70.120000000000005 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.797 0.332 . . . . 64.340000000000003 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -38.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.841 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.01 26.17 7.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 75.129999999999995 112.497 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.6 tp -179.21 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.040000000000006 110.928 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -51.9 -31.61 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.835 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 71.129999999999995 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.44 -24.87 60.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 54.229999999999997 110.905 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.688 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.1 OUTLIER -80.95 -32.44 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 64.129999999999995 110.867 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.495 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -87.38 -7.81 57.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 110.892 -2.867 . . . . 74.310000000000002 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 3.16 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 63.340000000000003 110.923 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.738 ' O ' HB1A ' A' ' 13' ' ' MK8 . 1.1 t-20 -129.04 -30.7 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.915 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.495 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -33.17 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.856 -2.884 . . . . 74.340000000000003 110.963 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -77.11 -21.41 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 111.13 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.2 ttt -85.97 -25.12 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.129999999999995 110.838 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 13' ' ' MK8 . 98.2 t -78.04 -39.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.409999999999997 111.146 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.51 -30.37 61.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.15 -54.29 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.140000000000001 110.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.120000000000005 110.915 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 64.340000000000003 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -69.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.86 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.2 78.97 1.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 75.129999999999995 112.477 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.13 25.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 74.040000000000006 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.79 -33.96 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 110.852 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.36 -39.2 68.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.17 -25.46 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 54.229999999999997 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.691 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.0 OUTLIER -79.79 -32.41 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 64.129999999999995 110.855 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.492 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -87.38 -7.25 57.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 110.898 -2.865 . . . . 74.310000000000002 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 3.3 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 63.340000000000003 110.901 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.744 ' O ' HB1A ' A' ' 13' ' ' MK8 . 12.7 t30 -129.27 -30.81 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 110.918 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.492 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.21 -31.72 71.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 110.92 -2.855 . . . . 74.340000000000003 110.952 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.5 m -77.53 -21.59 52.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.310000000000002 111.138 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -25.07 26.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 75.129999999999995 110.843 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 13' ' ' MK8 . 89.2 t -77.99 -39.38 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.409999999999997 111.167 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.47 61.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.908 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -54.35 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 65.140000000000001 110.863 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 110.943 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 64.340000000000003 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 72.400000000000006 110.869 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.28 -109.41 0.32 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 75.129999999999995 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.99 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 74.040000000000006 110.903 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -34.51 63.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -26.09 61.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.855 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.59 -25.65 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 54.229999999999997 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.627 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.2 OUTLIER -79.49 -32.99 42.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.927 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.635 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 84.8 t80 -66.95 -11.68 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 110.947 -2.842 . . . . 74.310000000000002 110.916 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.16 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 63.340000000000003 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.506 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 1.2 t-20 -140.84 26.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.409999999999997 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.635 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.65 -19.72 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.932 -2.849 . . . . 74.340000000000003 110.948 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.5 m -92.16 -22.3 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 72.310000000000002 111.139 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 ttt -85.69 -25.23 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.882 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 13' ' ' MK8 . 95.9 t -78.57 -39.28 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.13 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.26 -30.15 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.94 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.02 -54.34 10.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 110.852 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 70.120000000000005 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.846 0.355 . . . . 64.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -46.91 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.96 69.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 75.129999999999995 112.47 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -44.81 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 74.040000000000006 110.921 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -34.6 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.848 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -26.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.129999999999995 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.63 -25.6 30.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 54.229999999999997 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.629 ' O ' HB1A ' A' ' 9' ' ' MK8 . 3.7 mm-40 -79.56 -33.01 42.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 64.129999999999995 110.864 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.659 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 88.2 t80 -66.94 -11.67 57.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.881 -2.872 . . . . 74.310000000000002 110.942 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -0.19 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 63.340000000000003 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.506 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 5.0 t-20 -140.8 26.7 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.879 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.659 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.61 -19.72 59.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 110.949 -2.841 . . . . 74.340000000000003 110.902 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.409 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.3 m -92.23 -22.27 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 72.310000000000002 111.128 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttm -85.73 -25.18 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.879 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 13' ' ' MK8 . 95.9 t -78.64 -39.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.119 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.33 -30.14 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.099999999999994 110.919 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.85 -54.69 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.140000000000001 110.877 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.120000000000005 110.919 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 64.340000000000003 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.62 -46.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 72.400000000000006 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.12 134.48 5.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.489 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.92 -48.77 78.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 74.040000000000006 110.898 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -34.59 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.857 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -26.13 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 71.129999999999995 110.87 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.56 -25.63 30.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 54.229999999999997 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.627 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.3 OUTLIER -79.53 -33.1 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 64.129999999999995 110.845 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.6 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 85.4 t80 -66.93 -11.7 57.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.941 -2.845 . . . . 74.310000000000002 110.907 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.11 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 63.340000000000003 110.862 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.506 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 0.1 OUTLIER -140.9 26.68 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.409999999999997 110.882 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.6 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.69 -19.67 58.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.86 -2.882 . . . . 74.340000000000003 110.894 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.403 ' HA ' HD23 ' A' ' 18' ' ' LEU . 95.4 m -92.16 -22.29 19.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 111.159 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.6 ttp -85.74 -25.2 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.887 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.7 t -78.53 -39.27 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.161 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.36 -30.16 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.79 -54.8 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 65.140000000000001 110.911 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 64.340000000000003 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.3 -60.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.871 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.3 160.35 22.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 75.129999999999995 112.518 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.91 25.65 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 74.040000000000006 110.88 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -36.91 17.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.61 -29.11 63.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -81.61 -25.68 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 54.229999999999997 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.62 ' O ' HB1A ' A' ' 9' ' ' MK8 . 51.7 tt0 -78.64 -33.0 47.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 64.129999999999995 110.917 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.609 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 89.1 t80 -66.96 -11.66 57.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 110.914 -2.857 . . . . 74.310000000000002 110.928 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.14 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 63.340000000000003 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 1.9 t30 -140.82 26.67 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.896 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.609 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.7 -19.66 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 110.898 -2.865 . . . . 74.340000000000003 110.908 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.406 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.5 m -92.19 -22.35 19.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 72.310000000000002 111.127 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -25.12 26.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' MK8 . 95.8 t -78.6 -39.3 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 111.057 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.33 -30.05 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.923 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.02 -54.33 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.857 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.914 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 64.340000000000003 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.5 -34.9 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 110.862 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.03 -33.92 2.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 75.129999999999995 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt 58.91 25.76 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.364 . . . . 74.040000000000006 110.931 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m -87.05 -36.96 17.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.83 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -72.63 -29.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -25.73 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 54.229999999999997 110.892 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.9 OUTLIER -78.69 -32.96 47.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 110.912 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.58 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 86.9 t80 -66.94 -11.67 57.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 110.947 -2.842 . . . . 74.310000000000002 110.894 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -123.55 -0.12 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 63.340000000000003 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.504 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 0.6 OUTLIER -140.88 26.71 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.879 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.58 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.67 -19.73 58.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 110.915 -2.857 . . . . 74.340000000000003 110.93 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.2 m -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.310000000000002 111.126 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -25.16 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 110.88 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.0 t -78.48 -39.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 111.091 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.14 -30.23 62.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.06 -53.88 11.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 65.140000000000001 110.888 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.120000000000005 110.857 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.9 t30 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.828 0.347 . . . . 64.340000000000003 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.37 -35.9 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.2 126.29 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 75.129999999999995 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.8 mt 59.48 25.83 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 74.040000000000006 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 -36.87 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.848 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -71.85 -30.21 65.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.923 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.47 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 54.229999999999997 110.876 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.599 ' O ' HB1A ' A' ' 9' ' ' MK8 . 68.4 tt0 -78.23 -32.63 49.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.88 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.605 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 48.6 t80 -66.69 -11.96 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 110.909 -2.86 . . . . 74.310000000000002 110.93 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.24 0.07 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.340000000000003 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.505 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 0.1 OUTLIER -141.07 26.71 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.873 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.605 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.7 -19.73 58.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 110.898 -2.864 . . . . 74.340000000000003 110.913 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.0 m -92.06 -22.43 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 111.131 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ttp -85.66 -25.11 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.129999999999995 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.4 t -78.52 -39.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.082 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.12 -30.24 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.952 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -71.98 -53.96 11.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 65.140000000000001 110.852 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.357 . . . . 64.340000000000003 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -35.95 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.824 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.17 -131.93 7.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.681 -0.771 . . . . 75.129999999999995 112.464 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.13 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 74.040000000000006 110.905 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -34.55 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 110.914 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -26.14 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 71.129999999999995 110.85 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -25.71 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 54.229999999999997 110.882 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.625 ' O ' HB1A ' A' ' 9' ' ' MK8 . 1.6 tp10 -79.48 -33.08 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.129999999999995 110.909 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.657 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 88.0 t80 -66.9 -11.71 56.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 110.928 -2.851 . . . . 74.310000000000002 110.942 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -0.21 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 63.340000000000003 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 1.0 OUTLIER -140.81 26.68 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.887 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.657 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.67 -19.74 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.936 -2.847 . . . . 74.340000000000003 110.902 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.407 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.9 m -92.15 -22.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 72.310000000000002 111.167 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.7 -25.22 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.878 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.2 t -78.53 -39.31 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 111.117 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.33 -30.11 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.97 -54.4 10.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 65.140000000000001 110.837 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.120000000000005 110.902 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.367 . . . . 64.340000000000003 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.13 -66.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.400000000000006 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.18 -159.11 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 75.129999999999995 112.541 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.96 26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 74.040000000000006 110.923 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -85.43 -37.9 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -73.17 -26.55 61.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.129999999999995 110.928 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -25.72 31.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 54.229999999999997 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.621 ' O ' HB1A ' A' ' 9' ' ' MK8 . 2.5 tt0 -79.41 -33.07 42.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.838 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.625 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 81.9 t80 -67.03 -11.6 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 110.89 -2.868 . . . . 74.310000000000002 110.937 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.18 8.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 63.340000000000003 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.492 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 0.6 OUTLIER -140.85 26.6 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 110.841 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.625 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.66 -19.66 58.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 110.909 -2.86 . . . . 74.340000000000003 110.945 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.0 m -92.24 -22.3 19.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 72.310000000000002 111.111 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 ttt -85.66 -25.22 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.932 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.1 t -78.57 -39.27 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.127 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.26 -30.18 62.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 110.917 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.05 -54.27 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 65.140000000000001 110.841 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 70.120000000000005 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 64.340000000000003 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.48 -47.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.400000000000006 110.852 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.63 -111.63 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.483 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.19 24.95 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 74.040000000000006 110.891 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -26.22 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -25.14 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.129999999999995 110.926 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.2 -27.19 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 54.229999999999997 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.625 ' O ' HB1A ' A' ' 9' ' ' MK8 . 21.3 pt-20 -80.92 -31.28 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 64.129999999999995 110.888 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.585 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -66.44 -12.44 57.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 110.915 -2.857 . . . . 74.310000000000002 110.891 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -122.83 0.35 9.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 63.340000000000003 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.498 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 2.0 t30 -141.38 26.88 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.409999999999997 110.883 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.585 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -19.63 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 110.898 -2.864 . . . . 74.340000000000003 110.915 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 95.0 m -92.04 -22.38 19.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 72.310000000000002 111.166 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -85.69 -25.19 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.837 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.3 t -78.51 -39.35 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 73.409999999999997 111.112 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.22 -30.15 62.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.909 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.07 -53.93 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 65.140000000000001 110.843 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 70.120000000000005 110.91 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.8 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 64.340000000000003 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -30.35 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.91 -142.87 17.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 75.129999999999995 112.48 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mp 60.53 25.45 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 74.040000000000006 110.93 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -87.93 -22.43 24.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.883 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -83.08 -29.26 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -85.13 -25.69 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 54.229999999999997 110.908 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.633 ' O ' HB1A ' A' ' 9' ' ' MK8 . 1.2 pp20? -82.89 -30.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.875 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.582 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.27 -12.63 57.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 110.915 -2.857 . . . . 74.310000000000002 110.934 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -122.74 0.46 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 63.340000000000003 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.495 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 2.2 t-20 -141.44 26.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.409999999999997 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.582 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -19.57 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 110.935 -2.848 . . . . 74.340000000000003 110.924 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' HD23 ' A' ' 18' ' ' LEU . 98.8 m -92.39 -22.0 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.310000000000002 111.122 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -86.17 -24.96 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 110.84 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 13' ' ' MK8 . 95.6 t -78.83 -39.13 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 111.093 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -73.95 -31.04 62.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.929 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -69.8 -56.65 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 65.140000000000001 110.843 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.911 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 64.340000000000003 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.17 -54.02 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 110.858 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.35 -130.99 1.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 75.129999999999995 112.486 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp 59.66 23.66 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 74.040000000000006 110.939 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -89.35 -33.89 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.892 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.73 -37.98 67.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 71.129999999999995 110.874 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.43 60.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 54.229999999999997 110.842 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.701 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.0 OUTLIER -80.28 -32.32 38.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.129999999999995 110.881 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.512 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -87.48 -8.0 56.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.906 -2.861 . . . . 74.310000000000002 110.887 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -0.07 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 63.340000000000003 110.855 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.746 ' O ' HB1A ' A' ' 13' ' ' MK8 . 1.8 t30 -125.74 -30.66 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.945 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.512 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -31.58 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 110.889 -2.869 . . . . 74.340000000000003 110.894 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.45 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.2 t -75.92 -33.71 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.310000000000002 111.157 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tpt -75.65 -24.66 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 13' ' ' MK8 . 93.6 t -76.71 -40.4 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 111.151 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.38 -30.08 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.892 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -73.49 -54.12 8.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 65.140000000000001 110.847 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 70.120000000000005 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.861 0.362 . . . . 64.340000000000003 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.78 -43.63 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 110.842 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.514 ' C ' HD23 ' A' ' 4' ' ' LEU . . . 103.83 -25.9 25.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.505 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 3' ' ' GLY . 0.6 OUTLIER 43.39 34.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 74.040000000000006 110.91 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -103.84 -33.77 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.420000000000002 110.84 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.87 -39.47 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 71.129999999999995 110.89 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -72.27 -25.78 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 54.229999999999997 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.699 ' O ' HB1A ' A' ' 9' ' ' MK8 . 52.7 tt0 -79.45 -32.3 42.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 64.129999999999995 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.48 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -87.46 -7.18 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.905 -2.861 . . . . 74.310000000000002 110.892 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -131.75 3.29 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 63.340000000000003 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.747 ' O ' HB1A ' A' ' 13' ' ' MK8 . 7.2 t-20 -129.21 -30.88 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.48 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -31.93 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 110.896 -2.865 . . . . 74.340000000000003 110.89 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -77.3 -21.55 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 72.310000000000002 111.149 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -85.9 -25.01 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 13' ' ' MK8 . 75.3 t -78.09 -39.34 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 111.127 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.46 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.947 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.0 -54.27 10.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 65.140000000000001 110.848 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.120000000000005 110.879 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.844 0.354 . . . . 64.340000000000003 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.65 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.400000000000006 110.832 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.45 -19.74 49.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 75.129999999999995 112.48 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.04 24.68 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 74.040000000000006 110.875 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -90.67 -26.43 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -25.47 32.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 71.129999999999995 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -23.14 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 54.229999999999997 110.942 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.69 ' O ' HB1A ' A' ' 9' ' ' MK8 . 18.5 pt-20 -86.04 -31.1 22.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 64.129999999999995 110.855 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.489 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.31 -9.85 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.949 -2.841 . . . . 74.310000000000002 110.88 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -0.38 5.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.340000000000003 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.756 ' O ' HB1A ' A' ' 13' ' ' MK8 . 8.4 t30 -125.08 -30.65 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.489 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -30.79 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.919 -2.855 . . . . 74.340000000000003 110.918 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.459 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.3 t -76.75 -33.7 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 72.310000000000002 111.1 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -24.55 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 13' ' ' MK8 . 94.4 t -76.96 -40.24 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.409999999999997 111.084 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.53 -30.07 61.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 110.881 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -73.38 -54.58 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 65.140000000000001 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 70.120000000000005 110.902 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 64.340000000000003 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.39 -67.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 72.400000000000006 110.852 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.53 -128.18 0.96 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 75.129999999999995 112.512 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -3.19 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 74.040000000000006 110.923 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -24.46 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.879 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -79.9 -29.48 39.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -27.1 26.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 54.229999999999997 110.881 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.692 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.4 OUTLIER -82.14 -30.59 30.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 64.129999999999995 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.519 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -87.24 -9.29 55.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 110.938 -2.846 . . . . 74.310000000000002 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.62 2.33 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 63.340000000000003 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.719 ' O ' HB1A ' A' ' 13' ' ' MK8 . 3.2 t-20 -127.98 -30.63 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.519 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -34.45 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.888 -2.869 . . . . 74.340000000000003 110.974 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -74.73 -22.53 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 72.310000000000002 111.145 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.129999999999995 110.893 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 13' ' ' MK8 . 90.3 t -78.01 -39.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 111.12 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.46 -30.47 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.92 -54.79 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 65.140000000000001 110.874 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 70.120000000000005 110.917 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 64.340000000000003 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 -58.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.400000000000006 110.854 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.19 77.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 75.129999999999995 112.485 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.4 tp -177.9 -45.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.040000000000006 110.94 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -29.86 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.855 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -40.84 66.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.129999999999995 110.847 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -70.45 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 54.229999999999997 110.856 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.705 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.8 OUTLIER -79.5 -32.54 42.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.129999999999995 110.896 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.48 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -87.45 -7.04 58.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.941 -2.845 . . . . 74.310000000000002 110.894 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -131.57 3.56 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 63.340000000000003 110.837 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.748 ' O ' HB1A ' A' ' 13' ' ' MK8 . 1.5 t30 -129.62 -31.77 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.409999999999997 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.48 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.59 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 110.934 -2.848 . . . . 74.340000000000003 110.93 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.5 m -77.41 -21.96 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.310000000000002 111.151 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tpt -85.67 -25.04 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 13' ' ' MK8 . 65.7 t -77.93 -39.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 111.089 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.38 -30.48 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.896 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -53.76 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 65.140000000000001 110.919 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 70.120000000000005 110.884 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.5 t30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 64.340000000000003 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.95 -59.98 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 72.400000000000006 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.87 -112.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 75.129999999999995 112.473 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.68 26.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.359 . . . . 74.040000000000006 110.948 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -89.48 -33.57 16.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.6 -41.84 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.86 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.43 -25.56 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 54.229999999999997 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.693 ' O ' HB1A ' A' ' 9' ' ' MK8 . 4.5 mt-10 -78.83 -32.74 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 64.129999999999995 110.901 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.586 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -89.36 -3.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 110.891 -2.868 . . . . 74.310000000000002 110.965 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -133.0 0.33 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 63.340000000000003 110.863 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.726 ' O ' HB1A ' A' ' 13' ' ' MK8 . 13.5 m-20 -129.08 -28.87 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.409999999999997 110.855 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.586 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -32.32 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.896 -2.866 . . . . 74.340000000000003 110.919 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -76.6 -22.28 54.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 72.310000000000002 111.148 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ttt -85.29 -24.98 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 110.858 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 13' ' ' MK8 . 61.0 t -77.92 -39.52 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 111.09 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.41 -30.43 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.04 -54.34 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 65.140000000000001 110.862 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.358 . . . . 64.340000000000003 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.01 -58.18 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.855 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.531 ' C ' HD23 ' A' ' 4' ' ' LEU . . . 170.87 127.88 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.759 . . . . 75.129999999999995 112.425 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 3' ' ' GLY . 0.6 OUTLIER 43.06 35.15 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 74.040000000000006 110.929 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.66 -24.62 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.835 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -82.13 -28.82 32.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.129999999999995 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -84.59 -26.86 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 54.229999999999997 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.615 ' O ' HB1A ' A' ' 9' ' ' MK8 . 12.6 pt-20 -81.42 -31.22 33.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.129999999999995 110.901 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MK8 . . . . . 1.588 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 89.5 t80 -66.42 -12.47 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 110.904 -2.862 . . . . 74.310000000000002 110.913 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -122.83 0.46 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.340000000000003 110.856 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 1.2 t-20 -141.4 26.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 71.409999999999997 110.896 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MK8 . . . . . 1.588 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.88 -19.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.869 -2.878 . . . . 74.340000000000003 110.911 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -92.13 -22.3 19.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 72.310000000000002 111.14 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.4 ttm -85.78 -25.15 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 75.129999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.8 t -78.57 -39.28 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 111.117 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 -30.16 61.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -71.97 -54.34 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.884 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.120000000000005 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.366 . . . . 74.420000000000002 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -40.34 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 110.9 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -25.61 62.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 54.229999999999997 110.825 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 64.129999999999995 110.914 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.889 0.376 . . . . 74.310000000000002 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.74 3.17 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 63.340000000000003 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.409999999999997 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.945 0.402 . . . . 74.340000000000003 110.936 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.2 m -76.75 -21.96 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 72.310000000000002 111.138 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -25.0 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.89 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -39.4 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.1 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.47 -30.35 61.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.94 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.15 -54.34 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.140000000000001 110.844 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 70.120000000000005 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 74.420000000000002 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 71.129999999999995 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.44 -24.87 60.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 54.229999999999997 110.905 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 64.129999999999995 110.867 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.887 0.375 . . . . 74.310000000000002 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 3.16 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 63.340000000000003 110.923 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.915 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.007 0.432 . . . . 74.340000000000003 110.963 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -77.11 -21.41 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 111.13 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.2 ttt -85.97 -25.12 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.129999999999995 110.838 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.04 -39.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.409999999999997 111.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.51 -30.37 61.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.15 -54.29 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.140000000000001 110.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.120000000000005 110.915 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.917 0.389 . . . . 74.420000000000002 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.36 -39.2 68.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.17 -25.46 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 54.229999999999997 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 64.129999999999995 110.855 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.3 t80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.9 0.381 . . . . 74.310000000000002 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 3.3 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 63.340000000000003 110.901 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 110.918 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.994 0.426 . . . . 74.340000000000003 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.5 m -77.53 -21.59 52.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.310000000000002 111.138 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -25.07 26.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 75.129999999999995 110.843 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.99 -39.38 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.409999999999997 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.47 61.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.908 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -54.35 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 65.140000000000001 110.863 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 110.943 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.914 0.388 . . . . 74.420000000000002 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -26.09 61.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.855 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.59 -25.65 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 54.229999999999997 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.927 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 84.8 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.849 0.357 . . . . 74.310000000000002 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.16 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 63.340000000000003 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.409999999999997 110.916 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.022 0.439 . . . . 74.340000000000003 110.948 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.5 m -92.16 -22.3 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 72.310000000000002 111.139 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 ttt -85.69 -25.23 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.882 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.9 t -78.57 -39.28 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.26 -30.15 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.94 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.02 -54.34 10.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 110.852 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 70.120000000000005 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -26.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.129999999999995 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.63 -25.6 30.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 54.229999999999997 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 64.129999999999995 110.864 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 88.2 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.912 0.386 . . . . 74.310000000000002 110.942 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -0.19 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 63.340000000000003 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.879 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.983 0.421 . . . . 74.340000000000003 110.902 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.409 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.3 m -92.23 -22.27 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 72.310000000000002 111.128 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttm -85.73 -25.18 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.879 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.9 t -78.64 -39.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.119 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.33 -30.14 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.099999999999994 110.919 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.85 -54.69 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.140000000000001 110.877 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.120000000000005 110.919 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.929 0.395 . . . . 74.420000000000002 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -26.13 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 71.129999999999995 110.87 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.56 -25.63 30.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 54.229999999999997 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 64.129999999999995 110.845 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 85.4 t80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.362 . . . . 74.310000000000002 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.11 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 63.340000000000003 110.862 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.409999999999997 110.882 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.972 0.415 . . . . 74.340000000000003 110.894 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.403 ' HA ' HD23 ' A' ' 18' ' ' LEU . 95.4 m -92.16 -22.29 19.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 111.159 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.6 ttp -85.74 -25.2 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.887 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.53 -39.27 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.161 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.36 -30.16 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.79 -54.8 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 65.140000000000001 110.911 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 74.420000000000002 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.61 -29.11 63.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -81.61 -25.68 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 54.229999999999997 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 64.129999999999995 110.917 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 89.1 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.36 . . . . 74.310000000000002 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.14 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 63.340000000000003 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.896 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.925 0.393 . . . . 74.340000000000003 110.908 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.406 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.5 m -92.19 -22.35 19.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 72.310000000000002 111.127 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -25.12 26.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.6 -39.3 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 111.057 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.33 -30.05 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.923 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.02 -54.33 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.857 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.914 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.83 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -72.63 -29.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -25.73 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 54.229999999999997 110.892 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 110.912 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 86.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.853 0.359 . . . . 74.310000000000002 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -123.55 -0.12 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 63.340000000000003 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.879 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.981 0.419 . . . . 74.340000000000003 110.93 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.2 m -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.310000000000002 111.126 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -25.16 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 110.88 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.0 t -78.48 -39.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 111.091 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.14 -30.23 62.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.06 -53.88 11.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 65.140000000000001 110.888 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.120000000000005 110.857 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.897 0.38 . . . . 74.420000000000002 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -71.85 -30.21 65.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.923 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.47 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 54.229999999999997 110.876 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.88 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 48.6 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.894 0.378 . . . . 74.310000000000002 110.93 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.24 0.07 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.340000000000003 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.969 0.414 . . . . 74.340000000000003 110.913 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.0 m -92.06 -22.43 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 111.131 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ttp -85.66 -25.11 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.129999999999995 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.4 t -78.52 -39.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.082 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.12 -30.24 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.952 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -71.98 -53.96 11.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 65.140000000000001 110.852 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.906 0.384 . . . . 74.420000000000002 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -26.14 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 71.129999999999995 110.85 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -25.71 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 54.229999999999997 110.882 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.129999999999995 110.909 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 88.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 74.310000000000002 110.942 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -0.21 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 63.340000000000003 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.887 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.933 0.397 . . . . 74.340000000000003 110.902 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.407 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.9 m -92.15 -22.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 72.310000000000002 111.167 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.7 -25.22 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.878 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.53 -39.31 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 111.117 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.33 -30.11 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.97 -54.4 10.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 65.140000000000001 110.837 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.120000000000005 110.902 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 74.420000000000002 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -73.17 -26.55 61.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.129999999999995 110.928 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -25.72 31.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 54.229999999999997 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.838 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 81.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.891 0.376 . . . . 74.310000000000002 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.18 8.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 63.340000000000003 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.96 0.41 . . . . 74.340000000000003 110.945 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.0 m -92.24 -22.3 19.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 72.310000000000002 111.111 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 ttt -85.66 -25.22 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.932 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.57 -39.27 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.127 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.26 -30.18 62.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 110.917 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.05 -54.27 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 65.140000000000001 110.841 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 70.120000000000005 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 74.420000000000002 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -25.14 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.129999999999995 110.926 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.2 -27.19 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 54.229999999999997 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 64.129999999999995 110.888 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 74.310000000000002 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -122.83 0.35 9.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 63.340000000000003 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.409999999999997 110.883 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.97 0.414 . . . . 74.340000000000003 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 95.0 m -92.04 -22.38 19.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 72.310000000000002 111.166 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -85.69 -25.19 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.837 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.51 -39.35 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 73.409999999999997 111.112 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.22 -30.15 62.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.909 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.07 -53.93 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 65.140000000000001 110.843 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 70.120000000000005 110.91 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.929 0.395 . . . . 74.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -83.08 -29.26 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -85.13 -25.69 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 54.229999999999997 110.908 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.875 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.864 0.364 . . . . 74.310000000000002 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -122.74 0.46 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 63.340000000000003 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.409999999999997 110.913 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.936 0.398 . . . . 74.340000000000003 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' HD23 ' A' ' 18' ' ' LEU . 98.8 m -92.39 -22.0 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.310000000000002 111.122 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -86.17 -24.96 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 110.84 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.83 -39.13 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 111.093 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -73.95 -31.04 62.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.929 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -69.8 -56.65 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 65.140000000000001 110.843 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.911 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.73 -37.98 67.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 71.129999999999995 110.874 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.43 60.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 54.229999999999997 110.842 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.129999999999995 110.881 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 74.310000000000002 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -0.07 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 63.340000000000003 110.855 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.945 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.938 0.399 . . . . 74.340000000000003 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.45 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.2 t -75.92 -33.71 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.310000000000002 111.157 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tpt -75.65 -24.66 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.71 -40.4 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 111.151 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.38 -30.08 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.892 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -73.49 -54.12 8.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 65.140000000000001 110.847 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 70.120000000000005 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.887 0.375 . . . . 74.420000000000002 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.87 -39.47 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 71.129999999999995 110.89 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -72.27 -25.78 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 54.229999999999997 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 64.129999999999995 110.889 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.888 0.375 . . . . 74.310000000000002 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -131.75 3.29 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 63.340000000000003 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.88 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.915 0.388 . . . . 74.340000000000003 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -77.3 -21.55 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 72.310000000000002 111.149 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -85.9 -25.01 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -78.09 -39.34 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 111.127 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.46 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.947 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.0 -54.27 10.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 65.140000000000001 110.848 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.120000000000005 110.879 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.888 0.375 . . . . 74.420000000000002 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -25.47 32.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 71.129999999999995 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -23.14 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 54.229999999999997 110.942 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 64.129999999999995 110.855 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.859 0.362 . . . . 74.310000000000002 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -0.38 5.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.340000000000003 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 110.88 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.964 0.412 . . . . 74.340000000000003 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.459 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.3 t -76.75 -33.7 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 72.310000000000002 111.1 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -24.55 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.96 -40.24 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.409999999999997 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.53 -30.07 61.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 110.881 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -73.38 -54.58 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 65.140000000000001 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 70.120000000000005 110.902 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.935 0.398 . . . . 74.420000000000002 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -79.9 -29.48 39.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -27.1 26.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 54.229999999999997 110.881 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 64.129999999999995 110.876 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.866 0.365 . . . . 74.310000000000002 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.62 2.33 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 63.340000000000003 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.92 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.036 0.446 . . . . 74.340000000000003 110.974 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -74.73 -22.53 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 72.310000000000002 111.145 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.129999999999995 110.893 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -78.01 -39.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.46 -30.47 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.92 -54.79 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 65.140000000000001 110.874 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 70.120000000000005 110.917 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 74.420000000000002 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -40.84 66.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.129999999999995 110.847 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -70.45 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 54.229999999999997 110.856 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.129999999999995 110.896 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.873 0.368 . . . . 74.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -131.57 3.56 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 63.340000000000003 110.837 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.409999999999997 110.887 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.93 0.395 . . . . 74.340000000000003 110.93 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.5 m -77.41 -21.96 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.310000000000002 111.151 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tpt -85.67 -25.04 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.7 t -77.93 -39.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 111.089 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.38 -30.48 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.896 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -53.76 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 65.140000000000001 110.919 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 70.120000000000005 110.884 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.933 0.397 . . . . 74.420000000000002 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.6 -41.84 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.86 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.43 -25.56 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 54.229999999999997 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 64.129999999999995 110.901 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.0 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.932 0.396 . . . . 74.310000000000002 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -133.0 0.33 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 63.340000000000003 110.863 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.409999999999997 110.855 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.983 0.42 . . . . 74.340000000000003 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -76.6 -22.28 54.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 72.310000000000002 111.148 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ttt -85.29 -24.98 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 110.858 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.92 -39.52 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 111.09 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.41 -30.43 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.04 -54.34 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 65.140000000000001 110.862 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 74.420000000000002 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -82.13 -28.82 32.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.129999999999995 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -84.59 -26.86 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 54.229999999999997 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.129999999999995 110.901 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 89.5 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 74.310000000000002 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -122.83 0.46 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.340000000000003 110.856 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 71.409999999999997 110.896 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.988 0.423 . . . . 74.340000000000003 110.911 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -92.13 -22.3 19.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 72.310000000000002 111.14 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.4 ttm -85.78 -25.15 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 75.129999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -78.57 -39.28 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 -30.16 61.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -71.97 -54.34 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.884 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.120000000000005 110.885 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 64.340000000000003 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.0 -42.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.851 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.54 -129.71 4.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 75.129999999999995 112.465 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.4 tp -177.76 -49.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 74.040000000000006 110.892 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -57.49 -29.99 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -40.34 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 110.9 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -25.61 62.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 54.229999999999997 110.825 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.687 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.4 OUTLIER -79.78 -32.67 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 64.129999999999995 110.914 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.493 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -87.42 -7.22 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 110.898 -2.865 . . . . 74.310000000000002 110.956 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.74 3.17 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 63.340000000000003 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.744 ' O ' HB1A ' A' ' 13' ' ' MK8 . 0.3 OUTLIER -129.07 -30.82 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.409999999999997 110.876 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.493 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -32.41 72.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 110.879 -2.873 . . . . 74.340000000000003 110.936 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.2 m -76.75 -21.96 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 72.310000000000002 111.138 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -25.0 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.89 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 13' ' ' MK8 . 60.6 t -78.0 -39.4 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.1 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.47 -30.35 61.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.94 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.15 -54.34 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.140000000000001 110.844 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 70.120000000000005 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.797 0.332 . . . . 64.340000000000003 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -38.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.841 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.01 26.17 7.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 75.129999999999995 112.497 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.6 tp -179.21 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.040000000000006 110.928 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -51.9 -31.61 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.835 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 71.129999999999995 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.44 -24.87 60.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 54.229999999999997 110.905 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.688 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.1 OUTLIER -80.95 -32.44 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 64.129999999999995 110.867 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.495 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -87.38 -7.81 57.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 110.892 -2.867 . . . . 74.310000000000002 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 3.16 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 63.340000000000003 110.923 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.738 ' O ' HB1A ' A' ' 13' ' ' MK8 . 1.1 t-20 -129.04 -30.7 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.915 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.495 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -33.17 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.856 -2.884 . . . . 74.340000000000003 110.963 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -77.11 -21.41 54.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 111.13 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.2 ttt -85.97 -25.12 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.129999999999995 110.838 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 13' ' ' MK8 . 98.2 t -78.04 -39.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.409999999999997 111.146 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.51 -30.37 61.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 110.941 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.15 -54.29 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.140000000000001 110.853 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.120000000000005 110.915 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 64.340000000000003 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 -69.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.86 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.2 78.97 1.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 75.129999999999995 112.477 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.13 25.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.783 0.325 . . . . 74.040000000000006 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.79 -33.96 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 110.852 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.36 -39.2 68.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.17 -25.46 61.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 54.229999999999997 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.691 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.0 OUTLIER -79.79 -32.41 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 64.129999999999995 110.855 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.492 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -87.38 -7.25 57.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 110.898 -2.865 . . . . 74.310000000000002 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 3.3 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 63.340000000000003 110.901 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.744 ' O ' HB1A ' A' ' 13' ' ' MK8 . 12.7 t30 -129.27 -30.81 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 110.918 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.492 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.21 -31.72 71.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 110.92 -2.855 . . . . 74.340000000000003 110.952 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.5 m -77.53 -21.59 52.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 72.310000000000002 111.138 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.96 -25.07 26.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 75.129999999999995 110.843 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 13' ' ' MK8 . 89.2 t -77.99 -39.38 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.409999999999997 111.167 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.47 61.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.908 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -54.35 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 65.140000000000001 110.863 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 110.943 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 64.340000000000003 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 72.400000000000006 110.869 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.28 -109.41 0.32 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 75.129999999999995 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.99 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 74.040000000000006 110.903 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -34.51 63.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.01 -26.09 61.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.855 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.59 -25.65 30.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 54.229999999999997 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.627 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.2 OUTLIER -79.49 -32.99 42.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.927 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.635 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 84.8 t80 -66.95 -11.68 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 110.947 -2.842 . . . . 74.310000000000002 110.916 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.16 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 63.340000000000003 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.506 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 1.2 t-20 -140.84 26.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.409999999999997 110.916 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.635 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.65 -19.72 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.932 -2.849 . . . . 74.340000000000003 110.948 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.5 m -92.16 -22.3 19.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 72.310000000000002 111.139 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 ttt -85.69 -25.23 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.882 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 13' ' ' MK8 . 95.9 t -78.57 -39.28 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.13 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.26 -30.15 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.94 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.02 -54.34 10.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 110.852 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 70.120000000000005 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.846 0.355 . . . . 64.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -46.91 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.96 69.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 75.129999999999995 112.47 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -44.81 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 74.040000000000006 110.921 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -34.6 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.848 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -26.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.129999999999995 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.63 -25.6 30.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 54.229999999999997 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.629 ' O ' HB1A ' A' ' 9' ' ' MK8 . 3.7 mm-40 -79.56 -33.01 42.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 64.129999999999995 110.864 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.659 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 88.2 t80 -66.94 -11.67 57.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.881 -2.872 . . . . 74.310000000000002 110.942 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -0.19 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 63.340000000000003 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.506 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 5.0 t-20 -140.8 26.7 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.879 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.659 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.61 -19.72 59.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 110.949 -2.841 . . . . 74.340000000000003 110.902 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.409 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.3 m -92.23 -22.27 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 72.310000000000002 111.128 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttm -85.73 -25.18 26.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.879 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 13' ' ' MK8 . 95.9 t -78.64 -39.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.119 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.33 -30.14 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.099999999999994 110.919 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.85 -54.69 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 65.140000000000001 110.877 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.120000000000005 110.919 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 64.340000000000003 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.62 -46.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 72.400000000000006 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.12 134.48 5.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.489 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.92 -48.77 78.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 74.040000000000006 110.898 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -34.59 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.857 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -26.13 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 71.129999999999995 110.87 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.56 -25.63 30.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 54.229999999999997 110.893 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.627 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.3 OUTLIER -79.53 -33.1 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 64.129999999999995 110.845 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.6 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 85.4 t80 -66.93 -11.7 57.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.941 -2.845 . . . . 74.310000000000002 110.907 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -0.11 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 63.340000000000003 110.862 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.506 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 0.1 OUTLIER -140.9 26.68 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.409999999999997 110.882 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.6 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.69 -19.67 58.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.86 -2.882 . . . . 74.340000000000003 110.894 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.403 ' HA ' HD23 ' A' ' 18' ' ' LEU . 95.4 m -92.16 -22.29 19.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 111.159 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.6 ttp -85.74 -25.2 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.887 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.7 t -78.53 -39.27 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.161 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.36 -30.16 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.79 -54.8 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 65.140000000000001 110.911 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 64.340000000000003 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.3 -60.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.871 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.3 160.35 22.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 75.129999999999995 112.518 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.91 25.65 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 74.040000000000006 110.88 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -36.91 17.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 110.878 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.61 -29.11 63.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -81.61 -25.68 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 54.229999999999997 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.62 ' O ' HB1A ' A' ' 9' ' ' MK8 . 51.7 tt0 -78.64 -33.0 47.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 64.129999999999995 110.917 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.609 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 89.1 t80 -66.96 -11.66 57.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 110.914 -2.857 . . . . 74.310000000000002 110.928 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.14 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 63.340000000000003 110.873 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 1.9 t30 -140.82 26.67 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.896 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.609 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.7 -19.66 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 110.898 -2.865 . . . . 74.340000000000003 110.908 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.406 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.5 m -92.19 -22.35 19.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 72.310000000000002 111.127 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -25.12 26.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' MK8 . 95.8 t -78.6 -39.3 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 111.057 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.33 -30.05 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.923 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.02 -54.33 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.857 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.914 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 64.340000000000003 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.5 -34.9 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 110.862 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.03 -33.92 2.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 75.129999999999995 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt 58.91 25.76 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.364 . . . . 74.040000000000006 110.931 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m -87.05 -36.96 17.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.83 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -72.63 -29.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -25.73 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 54.229999999999997 110.892 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.9 OUTLIER -78.69 -32.96 47.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 110.912 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.58 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 86.9 t80 -66.94 -11.67 57.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 110.947 -2.842 . . . . 74.310000000000002 110.894 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -123.55 -0.12 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 63.340000000000003 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.504 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 0.6 OUTLIER -140.88 26.71 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.879 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.58 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.67 -19.73 58.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 110.915 -2.857 . . . . 74.340000000000003 110.93 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.2 m -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.310000000000002 111.126 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -25.16 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 110.88 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.0 t -78.48 -39.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 111.091 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.14 -30.23 62.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.06 -53.88 11.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 65.140000000000001 110.888 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.120000000000005 110.857 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.9 t30 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.828 0.347 . . . . 64.340000000000003 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.37 -35.9 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.2 126.29 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 75.129999999999995 112.493 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.8 mt 59.48 25.83 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 74.040000000000006 110.9 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.06 -36.87 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.848 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -71.85 -30.21 65.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.923 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.47 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 54.229999999999997 110.876 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.599 ' O ' HB1A ' A' ' 9' ' ' MK8 . 68.4 tt0 -78.23 -32.63 49.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.88 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.605 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 48.6 t80 -66.69 -11.96 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 110.909 -2.86 . . . . 74.310000000000002 110.93 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.24 0.07 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 63.340000000000003 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.505 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 0.1 OUTLIER -141.07 26.71 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.873 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.605 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.7 -19.73 58.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 110.898 -2.864 . . . . 74.340000000000003 110.913 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.0 m -92.06 -22.43 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 111.131 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ttp -85.66 -25.11 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.129999999999995 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.4 t -78.52 -39.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.082 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.12 -30.24 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.952 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -71.98 -53.96 11.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 65.140000000000001 110.852 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.357 . . . . 64.340000000000003 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -35.95 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.824 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.17 -131.93 7.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.681 -0.771 . . . . 75.129999999999995 112.464 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.13 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 74.040000000000006 110.905 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -34.55 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 110.914 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -26.14 61.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 71.129999999999995 110.85 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -25.71 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 54.229999999999997 110.882 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.625 ' O ' HB1A ' A' ' 9' ' ' MK8 . 1.6 tp10 -79.48 -33.08 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.129999999999995 110.909 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.657 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 88.0 t80 -66.9 -11.71 56.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 110.928 -2.851 . . . . 74.310000000000002 110.942 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.52 -0.21 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 63.340000000000003 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 1.0 OUTLIER -140.81 26.68 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.887 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.657 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.67 -19.74 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.936 -2.847 . . . . 74.340000000000003 110.902 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.407 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.9 m -92.15 -22.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 72.310000000000002 111.167 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.7 -25.22 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.878 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.2 t -78.53 -39.31 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 111.117 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.33 -30.11 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -71.97 -54.4 10.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 65.140000000000001 110.837 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.120000000000005 110.902 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.367 . . . . 64.340000000000003 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.13 -66.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.400000000000006 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.18 -159.11 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 75.129999999999995 112.541 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.96 26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 74.040000000000006 110.923 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -85.43 -37.9 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -73.17 -26.55 61.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.129999999999995 110.928 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -25.72 31.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 54.229999999999997 110.874 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.621 ' O ' HB1A ' A' ' 9' ' ' MK8 . 2.5 tt0 -79.41 -33.07 42.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.838 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.625 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 81.9 t80 -67.03 -11.6 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 110.89 -2.868 . . . . 74.310000000000002 110.937 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -0.18 8.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 63.340000000000003 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.492 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 0.6 OUTLIER -140.85 26.6 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 110.841 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.625 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.66 -19.66 58.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 110.909 -2.86 . . . . 74.340000000000003 110.945 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 94.0 m -92.24 -22.3 19.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 72.310000000000002 111.111 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 ttt -85.66 -25.22 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.932 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.1 t -78.57 -39.27 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.127 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.1 pp -74.26 -30.18 62.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 110.917 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.05 -54.27 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 65.140000000000001 110.841 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 70.120000000000005 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 64.340000000000003 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.48 -47.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.400000000000006 110.852 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.63 -111.63 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.483 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.19 24.95 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 74.040000000000006 110.891 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -26.22 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -25.14 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.129999999999995 110.926 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.2 -27.19 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 54.229999999999997 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.625 ' O ' HB1A ' A' ' 9' ' ' MK8 . 21.3 pt-20 -80.92 -31.28 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 64.129999999999995 110.888 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.585 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -66.44 -12.44 57.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 110.915 -2.857 . . . . 74.310000000000002 110.891 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -122.83 0.35 9.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 63.340000000000003 110.915 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.498 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 2.0 t30 -141.38 26.88 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.409999999999997 110.883 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.585 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -19.63 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 110.898 -2.864 . . . . 74.340000000000003 110.915 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' HD23 ' A' ' 18' ' ' LEU . 95.0 m -92.04 -22.38 19.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 72.310000000000002 111.166 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -85.69 -25.19 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.837 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.3 t -78.51 -39.35 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 73.409999999999997 111.112 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.22 -30.15 62.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.909 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.07 -53.93 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 65.140000000000001 110.843 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 70.120000000000005 110.91 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.8 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 64.340000000000003 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -30.35 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 110.857 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.91 -142.87 17.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 75.129999999999995 112.48 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mp 60.53 25.45 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 74.040000000000006 110.93 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -87.93 -22.43 24.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.883 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -83.08 -29.26 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -85.13 -25.69 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 54.229999999999997 110.908 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.633 ' O ' HB1A ' A' ' 9' ' ' MK8 . 1.2 pp20? -82.89 -30.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.875 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.582 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.27 -12.63 57.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 110.915 -2.857 . . . . 74.310000000000002 110.934 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -122.74 0.46 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 63.340000000000003 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.495 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 2.2 t-20 -141.44 26.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.409999999999997 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.582 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -19.57 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 110.935 -2.848 . . . . 74.340000000000003 110.924 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' HD23 ' A' ' 18' ' ' LEU . 98.8 m -92.39 -22.0 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.310000000000002 111.122 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -86.17 -24.96 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 110.84 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 13' ' ' MK8 . 95.6 t -78.83 -39.13 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 111.093 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -73.95 -31.04 62.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.929 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -69.8 -56.65 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 65.140000000000001 110.843 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.911 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 64.340000000000003 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.17 -54.02 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 110.858 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.35 -130.99 1.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 75.129999999999995 112.486 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp 59.66 23.66 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 74.040000000000006 110.939 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -89.35 -33.89 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.892 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.73 -37.98 67.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 71.129999999999995 110.874 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.43 60.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 54.229999999999997 110.842 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.701 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.0 OUTLIER -80.28 -32.32 38.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.129999999999995 110.881 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.512 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -87.48 -8.0 56.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.906 -2.861 . . . . 74.310000000000002 110.887 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -0.07 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 63.340000000000003 110.855 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.746 ' O ' HB1A ' A' ' 13' ' ' MK8 . 1.8 t30 -125.74 -30.66 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.945 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.512 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -31.58 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 110.889 -2.869 . . . . 74.340000000000003 110.894 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.45 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.2 t -75.92 -33.71 59.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.310000000000002 111.157 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tpt -75.65 -24.66 56.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 13' ' ' MK8 . 93.6 t -76.71 -40.4 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 111.151 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.38 -30.08 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.892 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -73.49 -54.12 8.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 65.140000000000001 110.847 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 70.120000000000005 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.861 0.362 . . . . 64.340000000000003 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.78 -43.63 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 110.842 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.514 ' C ' HD23 ' A' ' 4' ' ' LEU . . . 103.83 -25.9 25.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 75.129999999999995 112.505 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 3' ' ' GLY . 0.6 OUTLIER 43.39 34.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 74.040000000000006 110.91 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -103.84 -33.77 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.420000000000002 110.84 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.87 -39.47 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 71.129999999999995 110.89 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -72.27 -25.78 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 54.229999999999997 110.892 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.699 ' O ' HB1A ' A' ' 9' ' ' MK8 . 52.7 tt0 -79.45 -32.3 42.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 64.129999999999995 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.48 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -87.46 -7.18 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.905 -2.861 . . . . 74.310000000000002 110.892 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -131.75 3.29 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 63.340000000000003 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.747 ' O ' HB1A ' A' ' 13' ' ' MK8 . 7.2 t-20 -129.21 -30.88 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.48 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -31.93 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 110.896 -2.865 . . . . 74.340000000000003 110.89 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -77.3 -21.55 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 72.310000000000002 111.149 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -85.9 -25.01 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 13' ' ' MK8 . 75.3 t -78.09 -39.34 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 111.127 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.43 -30.46 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.947 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.0 -54.27 10.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 65.140000000000001 110.848 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.120000000000005 110.879 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.844 0.354 . . . . 64.340000000000003 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.65 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 72.400000000000006 110.832 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.45 -19.74 49.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 75.129999999999995 112.48 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.04 24.68 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 74.040000000000006 110.875 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -90.67 -26.43 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -25.47 32.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 71.129999999999995 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -23.14 25.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 54.229999999999997 110.942 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.69 ' O ' HB1A ' A' ' 9' ' ' MK8 . 18.5 pt-20 -86.04 -31.1 22.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 64.129999999999995 110.855 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.489 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.31 -9.85 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.949 -2.841 . . . . 74.310000000000002 110.88 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.4 -0.38 5.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.340000000000003 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.756 ' O ' HB1A ' A' ' 13' ' ' MK8 . 8.4 t30 -125.08 -30.65 3.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.489 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -30.79 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.919 -2.855 . . . . 74.340000000000003 110.918 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.459 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.3 t -76.75 -33.7 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 72.310000000000002 111.1 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -24.55 56.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 13' ' ' MK8 . 94.4 t -76.96 -40.24 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.409999999999997 111.084 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.2 pp -74.53 -30.07 61.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 110.881 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -73.38 -54.58 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 65.140000000000001 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 70.120000000000005 110.902 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 64.340000000000003 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.39 -67.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 72.400000000000006 110.852 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.53 -128.18 0.96 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 75.129999999999995 112.512 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 -3.19 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 74.040000000000006 110.923 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -24.46 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.879 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -79.9 -29.48 39.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -27.1 26.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 54.229999999999997 110.881 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.692 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.4 OUTLIER -82.14 -30.59 30.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 64.129999999999995 110.876 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.519 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -87.24 -9.29 55.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 110.938 -2.846 . . . . 74.310000000000002 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.62 2.33 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 63.340000000000003 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.719 ' O ' HB1A ' A' ' 13' ' ' MK8 . 3.2 t-20 -127.98 -30.63 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.519 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -34.45 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.888 -2.869 . . . . 74.340000000000003 110.974 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -74.73 -22.53 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 72.310000000000002 111.145 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.129999999999995 110.893 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 13' ' ' MK8 . 90.3 t -78.01 -39.39 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 111.12 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.46 -30.47 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.92 -54.79 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 65.140000000000001 110.874 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 70.120000000000005 110.917 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 64.340000000000003 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 -58.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.400000000000006 110.854 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.19 77.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 75.129999999999995 112.485 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.4 tp -177.9 -45.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.040000000000006 110.94 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -29.86 67.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.855 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -40.84 66.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.129999999999995 110.847 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -70.45 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 54.229999999999997 110.856 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.705 ' O ' HB1A ' A' ' 9' ' ' MK8 . 0.8 OUTLIER -79.5 -32.54 42.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.129999999999995 110.896 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.48 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -87.45 -7.04 58.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.941 -2.845 . . . . 74.310000000000002 110.894 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -131.57 3.56 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 63.340000000000003 110.837 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.748 ' O ' HB1A ' A' ' 13' ' ' MK8 . 1.5 t30 -129.62 -31.77 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.409999999999997 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.48 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -31.59 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 110.934 -2.848 . . . . 74.340000000000003 110.93 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.5 m -77.41 -21.96 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.310000000000002 111.151 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tpt -85.67 -25.04 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 13' ' ' MK8 . 65.7 t -77.93 -39.45 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 111.089 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.38 -30.48 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.896 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -72.05 -53.76 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 65.140000000000001 110.919 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 70.120000000000005 110.884 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.5 t30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 64.340000000000003 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.95 -59.98 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 72.400000000000006 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.87 -112.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 75.129999999999995 112.473 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.68 26.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.359 . . . . 74.040000000000006 110.948 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -89.48 -33.57 16.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.855 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.6 -41.84 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.129999999999995 110.86 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.43 -25.56 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 54.229999999999997 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.693 ' O ' HB1A ' A' ' 9' ' ' MK8 . 4.5 mt-10 -78.83 -32.74 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 64.129999999999995 110.901 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.586 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -89.36 -3.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 110.891 -2.868 . . . . 74.310000000000002 110.965 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -133.0 0.33 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 63.340000000000003 110.863 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.726 ' O ' HB1A ' A' ' 13' ' ' MK8 . 13.5 m-20 -129.08 -28.87 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.409999999999997 110.855 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.586 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -32.32 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 110.896 -2.866 . . . . 74.340000000000003 110.919 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -76.6 -22.28 54.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 72.310000000000002 111.148 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ttt -85.29 -24.98 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 110.858 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 13' ' ' MK8 . 61.0 t -77.92 -39.52 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 111.09 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.41 -30.43 61.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -72.04 -54.34 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 65.140000000000001 110.862 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.120000000000005 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.358 . . . . 64.340000000000003 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.01 -58.18 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.855 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.531 ' C ' HD23 ' A' ' 4' ' ' LEU . . . 170.87 127.88 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.759 . . . . 75.129999999999995 112.425 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 3' ' ' GLY . 0.6 OUTLIER 43.06 35.15 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 74.040000000000006 110.929 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.66 -24.62 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.835 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -82.13 -28.82 32.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.129999999999995 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -84.59 -26.86 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 54.229999999999997 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.615 ' O ' HB1A ' A' ' 9' ' ' MK8 . 12.6 pt-20 -81.42 -31.22 33.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.129999999999995 110.901 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MK8 . . . . . 1.588 ' HE ' ' CE ' ' A' ' 13' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 14' ' ' TYR . 89.5 t80 -66.42 -12.47 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 110.904 -2.862 . . . . 74.310000000000002 110.913 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -122.83 0.46 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.340000000000003 110.856 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' O ' ' HB1' ' A' ' 13' ' ' MK8 . 1.2 t-20 -141.4 26.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 71.409999999999997 110.896 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MK8 . . . . . 1.588 ' CE ' ' HE ' ' A' ' 9' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -75.88 -19.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.869 -2.878 . . . . 74.340000000000003 110.911 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.3 m -92.13 -22.3 19.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 72.310000000000002 111.14 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.4 ttm -85.78 -25.15 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 75.129999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 13' ' ' MK8 . 96.8 t -78.57 -39.28 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 111.117 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 -30.16 61.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -71.97 -54.34 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.884 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.120000000000005 110.885 179.972 . . . . . . . . 1 1 . 1 stop_ save_