data_2myl_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 2myl _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 ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.341 . . . . 74.549999999999997 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -126.08 -17.08 5.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.96 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.845 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.821 0.343 . . . . 71.439999999999998 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -27.78 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.899 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.2 m -79.14 -32.75 44.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.137 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.21 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 60.509999999999998 110.834 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 t -81.96 -41.08 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 70.340000000000003 111.109 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -35.58 81.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.049999999999997 110.916 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.06 -42.98 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.049999999999997 110.82 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.873 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 74.549999999999997 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.98 -17.09 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 75.219999999999999 110.952 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 70.219999999999999 110.891 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.735 0.302 . . . . 71.439999999999998 111.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -27.14 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.918 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.6 m -79.66 -32.65 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 73.019999999999996 111.173 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttt -79.14 -15.44 58.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 60.509999999999998 110.884 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.85 -41.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 70.340000000000003 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -35.89 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.049999999999997 110.93 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -85.11 -40.41 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.049999999999997 110.878 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 71.140000000000001 110.885 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.859 0.361 . . . . 74.549999999999997 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.97 -17.13 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 110.879 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 70.219999999999999 110.88 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.776 0.322 . . . . 71.439999999999998 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -26.99 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.892 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.6 m -79.84 -32.61 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.019999999999996 111.146 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -15.48 58.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 60.509999999999998 110.865 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.87 -41.45 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 70.340000000000003 111.106 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -35.9 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.049999999999997 110.922 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.09 -40.32 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.049999999999997 110.852 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.140000000000001 110.876 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.323 . . . . 74.549999999999997 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.98 -17.16 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.788 0.327 . . . . 71.439999999999998 111.084 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.72 -27.68 12.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 72.120000000000005 110.931 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -79.27 -32.83 43.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 73.019999999999996 111.193 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.25 -15.09 58.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 60.509999999999998 110.889 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 t -81.94 -41.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 70.340000000000003 111.125 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -36.39 83.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.049999999999997 110.935 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -83.72 -45.48 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.891 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.862 0.363 . . . . 74.549999999999997 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -16.33 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.219999999999999 110.965 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 71.439999999999998 111.106 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -26.72 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.120000000000005 110.895 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.4 m -80.03 -32.52 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 73.019999999999996 111.161 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.28 -15.53 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 t -81.79 -41.46 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 70.340000000000003 111.152 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.53 -35.93 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.049999999999997 110.925 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -85.1 -40.23 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.049999999999997 110.86 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.873 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.855 0.359 . . . . 74.549999999999997 110.936 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -16.78 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 75.219999999999999 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.829 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 71.439999999999998 111.08 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.81 -23.64 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.89 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.2 m -82.37 -32.58 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.019999999999996 111.138 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -80.05 -15.74 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 60.509999999999998 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.57 -41.34 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 70.340000000000003 111.166 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -35.71 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.9 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -85.19 -42.41 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.049999999999997 110.855 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 71.140000000000001 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 74.549999999999997 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -18.5 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 110.906 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 70.219999999999999 110.879 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 71.439999999999998 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -25.93 9.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.884 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.1 m -80.35 -32.79 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.019999999999996 111.17 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -14.96 58.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 60.509999999999998 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 t -81.68 -41.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 70.340000000000003 111.133 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -35.66 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 74.049999999999997 110.924 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -85.04 -42.97 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.893 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.140000000000001 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 74.549999999999997 110.942 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.1 -18.51 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 110.898 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 71.439999999999998 111.099 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.03 -25.88 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.891 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.0 m -80.35 -32.87 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.019999999999996 111.123 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -14.95 58.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.509999999999998 110.85 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 t -81.68 -41.24 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 70.340000000000003 111.107 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.049999999999997 110.943 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -85.08 -42.96 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.049999999999997 110.876 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 74.549999999999997 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.3 -16.73 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 75.219999999999999 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.219999999999999 110.872 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.823 0.344 . . . . 71.439999999999998 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.61 -24.08 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 m -82.14 -32.85 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.019999999999996 111.162 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -15.69 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 60.509999999999998 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 t -80.89 -41.97 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 70.340000000000003 111.155 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -36.72 83.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 74.049999999999997 110.912 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -83.59 -44.99 14.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.879 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.140000000000001 110.939 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.815 0.341 . . . . 74.549999999999997 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -125.97 -16.69 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 110.898 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 70.219999999999999 110.849 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 71.439999999999998 111.084 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -26.56 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.7 m -80.19 -32.51 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 73.019999999999996 111.129 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 tpp -79.33 -15.53 57.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 60.509999999999998 110.869 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.7 -41.36 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 70.340000000000003 111.145 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -36.22 83.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.049999999999997 110.931 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.07 -39.8 17.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 73.049999999999997 110.832 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 71.140000000000001 110.893 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 74.549999999999997 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.99 -15.51 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 75.219999999999999 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.87 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.836 0.351 . . . . 71.439999999999998 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.46 -28.1 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.961 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.7 m -78.98 -32.78 45.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 73.019999999999996 111.164 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.05 -15.36 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.509999999999998 110.852 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 t -82.0 -41.25 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 70.340000000000003 111.171 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -36.06 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.049999999999997 110.954 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -85.12 -39.98 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 71.140000000000001 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.78 0.324 . . . . 74.549999999999997 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -125.92 -17.98 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 70.219999999999999 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.338 . . . . 71.439999999999998 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -25.88 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.912 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.1 m -80.57 -32.72 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 73.019999999999996 111.134 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.3 -15.39 58.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 60.509999999999998 110.899 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 t -81.77 -41.44 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 70.340000000000003 111.166 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.64 -35.99 82.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 74.049999999999997 110.868 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -85.14 -40.0 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.049999999999997 110.838 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 71.140000000000001 110.914 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 74.549999999999997 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -125.27 -16.99 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.219999999999999 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 70.219999999999999 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 71.439999999999998 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.65 -27.76 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.911 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.5 m -79.14 -32.81 44.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 73.019999999999996 111.136 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.25 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 60.509999999999998 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 t -81.8 -41.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 70.340000000000003 111.142 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -35.63 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 74.049999999999997 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.99 -43.24 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.878 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.794 0.33 . . . . 74.549999999999997 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.68 -18.26 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 75.219999999999999 110.874 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.855 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 71.439999999999998 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -25.77 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.2 m -80.61 -32.75 36.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 73.019999999999996 111.098 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.32 -15.34 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 60.509999999999998 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -81.79 -41.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.340000000000003 111.157 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -35.96 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.049999999999997 110.92 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -85.16 -40.04 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.049999999999997 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 110.944 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.829 0.347 . . . . 74.549999999999997 110.94 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.41 -17.4 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 75.219999999999999 110.939 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.816 0.341 . . . . 71.439999999999998 111.1 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.69 -27.67 12.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.921 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.5 m -79.2 -32.76 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 73.019999999999996 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ttt -79.31 -15.21 58.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.509999999999998 110.895 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 t -81.77 -41.15 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 70.340000000000003 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -35.53 81.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.049999999999997 110.933 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 73.049999999999997 110.856 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 71.140000000000001 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 74.549999999999997 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.55 -16.61 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.219999999999999 110.936 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.906 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.798 0.333 . . . . 71.439999999999998 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.7 -27.62 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 110.922 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 m -79.39 -32.68 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 73.019999999999996 111.162 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.7 mtt -79.05 -15.48 58.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 60.509999999999998 110.876 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 t -81.94 -41.42 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 70.340000000000003 111.088 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -35.86 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 74.049999999999997 110.864 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -85.13 -40.36 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.049999999999997 110.843 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.140000000000001 110.879 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 74.549999999999997 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.15 -16.7 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 75.219999999999999 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 70.219999999999999 110.904 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.76 0.314 . . . . 71.439999999999998 111.085 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.12 12.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 110.944 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.6 m -79.57 -32.76 42.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 73.019999999999996 111.144 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttt -79.39 -15.16 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 60.509999999999998 110.898 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 t -81.81 -41.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.340000000000003 111.141 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -35.62 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 74.049999999999997 110.929 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -85.01 -43.2 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.874 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 71.140000000000001 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.827 0.346 . . . . 74.549999999999997 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -21.0 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.219999999999999 110.936 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.87 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.807 0.337 . . . . 71.439999999999998 111.089 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.67 -26.79 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.953 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.0 m -79.67 -33.11 41.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 73.019999999999996 111.139 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ttt -78.91 -15.35 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 60.509999999999998 110.882 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 t -81.89 -41.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 70.340000000000003 111.135 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -35.89 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 74.049999999999997 110.927 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.13 -40.29 16.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.049999999999997 110.838 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 71.140000000000001 110.916 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.835 0.35 . . . . 74.549999999999997 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -133.47 -31.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 75.219999999999999 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 70.219999999999999 110.887 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 71.439999999999998 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -23.58 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 72.120000000000005 110.94 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.0 m -82.2 -33.09 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.019999999999996 111.11 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -15.73 57.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 60.509999999999998 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 t -80.81 -41.98 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 70.340000000000003 111.16 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.64 -36.75 83.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.049999999999997 110.874 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -83.55 -45.12 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 73.049999999999997 110.858 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 71.140000000000001 110.854 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.821 0.343 . . . . 74.549999999999997 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.35 -16.24 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 70.219999999999999 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.784 0.326 . . . . 71.439999999999998 111.117 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -27.26 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.915 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.6 m -79.59 -32.75 41.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 73.019999999999996 111.099 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -79.21 -15.26 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 60.509999999999998 110.89 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 t -81.89 -41.87 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 70.340000000000003 111.141 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -36.38 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.049999999999997 110.914 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -83.99 -43.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 73.049999999999997 110.868 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 71.140000000000001 110.907 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 74.420000000000002 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.14 -32.4 24.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 62.130000000000003 110.857 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 24.39 44.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 65.239999999999995 112.485 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.8 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 110.919 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -90.97 1.92 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 61.009999999999998 110.858 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -117.53 -2.68 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.58 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 0.4 OUTLIER -106.77 -31.17 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.409999999999997 110.866 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.508 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 tp -87.44 -5.37 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 110.874 -2.875 . . . . 74.549999999999997 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -126.08 -17.08 5.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.96 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.94 -36.29 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.845 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.508 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -62.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.976 -2.829 . . . . 71.439999999999998 111.147 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -27.78 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.899 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.2 m -79.14 -32.75 44.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.137 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.21 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 60.509999999999998 110.834 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 t -81.96 -41.08 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 70.340000000000003 111.109 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -35.58 81.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.049999999999997 110.916 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.06 -42.98 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.049999999999997 110.82 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.873 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 74.420000000000002 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.78 -37.97 21.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 62.130000000000003 110.833 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.55 26.61 62.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 65.239999999999995 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.18 -37.94 88.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 74.230000000000004 110.903 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -90.82 2.02 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 61.009999999999998 110.858 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -117.71 -2.24 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.588 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 30.7 tt0 -107.33 -31.04 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.409999999999997 110.854 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.584 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp -87.5 -5.38 58.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.919 -2.855 . . . . 74.549999999999997 110.941 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.98 -17.09 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 75.219999999999999 110.952 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.01 -36.34 6.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 70.219999999999999 110.891 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.584 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.95 -62.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 110.874 -2.875 . . . . 71.439999999999998 111.106 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -27.14 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.918 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.6 m -79.66 -32.65 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 73.019999999999996 111.173 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttt -79.14 -15.44 58.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 60.509999999999998 110.884 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.85 -41.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 70.340000000000003 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -35.89 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.049999999999997 110.93 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -85.11 -40.41 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.049999999999997 110.878 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 71.140000000000001 110.885 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 74.420000000000002 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 -51.45 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 62.130000000000003 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.94 29.97 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 65.239999999999995 112.514 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 110.892 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -90.73 1.97 56.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 61.009999999999998 110.863 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -2.26 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.129999999999995 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.584 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 27.7 tt0 -107.28 -31.09 8.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.409999999999997 110.838 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.625 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.2 tp -87.58 -5.35 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.909 -2.859 . . . . 74.549999999999997 110.926 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.97 -17.13 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 110.879 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -105.97 -36.43 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 70.219999999999999 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.625 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.24 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.948 -2.842 . . . . 71.439999999999998 111.087 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -26.99 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.892 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.6 m -79.84 -32.61 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.019999999999996 111.146 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -15.48 58.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 60.509999999999998 110.865 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.87 -41.45 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 70.340000000000003 111.106 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -35.9 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.049999999999997 110.922 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.09 -40.32 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.049999999999997 110.852 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.140000000000001 110.876 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.815 0.341 . . . . 74.420000000000002 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.9 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.82 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.08 22.2 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 65.239999999999995 112.538 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -37.88 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 74.230000000000004 110.88 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -90.95 2.19 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 61.009999999999998 110.805 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.86 -2.42 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.862 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.579 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 1.6 tp10 -107.15 -31.11 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.571 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp -87.54 -5.33 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 110.928 -2.851 . . . . 74.549999999999997 110.887 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.98 -17.16 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.96 -36.34 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.87 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.571 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.67 -63.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 110.909 -2.86 . . . . 71.439999999999998 111.084 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.72 -27.68 12.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 72.120000000000005 110.931 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -79.27 -32.83 43.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 73.019999999999996 111.193 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.25 -15.09 58.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 60.509999999999998 110.889 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 t -81.94 -41.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 70.340000000000003 111.125 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -36.39 83.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.049999999999997 110.935 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -83.72 -45.48 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.891 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 74.420000000000002 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -91.62 -63.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.130000000000003 110.837 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.26 44.93 0.83 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 65.239999999999995 112.505 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.24 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 74.230000000000004 110.912 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -42.67 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 61.009999999999998 110.812 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -69.24 -21.79 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.883 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.577 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 2.6 tt0 -82.08 -28.29 32.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 110.908 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.265 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.89 -4.71 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.9 -2.864 . . . . 74.549999999999997 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -16.33 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.219999999999999 110.965 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -35.84 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.898 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.265 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.54 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.898 -2.864 . . . . 71.439999999999998 111.106 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -26.72 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.120000000000005 110.895 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.4 m -80.03 -32.52 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 73.019999999999996 111.161 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.28 -15.53 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 t -81.79 -41.46 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 70.340000000000003 111.152 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.53 -35.93 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.049999999999997 110.925 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -85.1 -40.23 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.049999999999997 110.86 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.873 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 74.420000000000002 110.866 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -66.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.130000000000003 110.893 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.04 -36.8 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.468 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mt -92.21 -37.14 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 74.230000000000004 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -92.59 2.42 56.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 61.009999999999998 110.843 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -117.74 -4.4 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.129999999999995 110.85 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.569 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 23.8 pt-20 -105.18 -30.93 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.409999999999997 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.448 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -5.11 58.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 110.919 -2.855 . . . . 74.549999999999997 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -16.78 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 75.219999999999999 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -106.15 -36.29 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.829 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.448 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.07 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.81 -23.64 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.89 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.2 m -82.37 -32.58 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.019999999999996 111.138 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -80.05 -15.74 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 60.509999999999998 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.57 -41.34 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 70.340000000000003 111.166 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -35.71 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.9 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -85.19 -42.41 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.049999999999997 110.855 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 71.140000000000001 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.822 0.344 . . . . 74.420000000000002 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -60.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 110.85 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.87 31.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 65.239999999999995 112.469 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -41.71 89.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 74.230000000000004 110.91 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -88.05 1.9 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 61.009999999999998 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -1.89 11.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.862 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.581 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 2.5 tm-20 -107.13 -31.39 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.89 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.237 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.3 tp -87.57 -4.93 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 110.864 -2.88 . . . . 74.549999999999997 110.918 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -18.5 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 110.906 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' HB1B ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.63 -36.99 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 70.219999999999999 110.879 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.237 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.88 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 110.956 -2.838 . . . . 71.439999999999998 111.076 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -25.93 9.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.884 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.1 m -80.35 -32.79 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.019999999999996 111.17 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -14.96 58.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 60.509999999999998 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 t -81.68 -41.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 70.340000000000003 111.133 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -35.66 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 74.049999999999997 110.924 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -85.04 -42.97 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.893 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.140000000000001 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 74.420000000000002 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.57 -55.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.130000000000003 110.844 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.9 27.62 4.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 65.239999999999995 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.25 -37.36 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 74.230000000000004 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -91.64 2.05 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 61.009999999999998 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.29 -3.55 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.565 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 4.8 tt0 -105.72 -31.17 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.883 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.224 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -4.82 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 110.885 -2.87 . . . . 74.549999999999997 110.942 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.1 -18.51 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 110.898 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' HB1B ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.67 -37.03 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.888 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.224 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.39 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.888 -2.869 . . . . 71.439999999999998 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.03 -25.88 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.891 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.0 m -80.35 -32.87 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.019999999999996 111.123 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -14.95 58.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.509999999999998 110.85 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 t -81.68 -41.24 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 70.340000000000003 111.107 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.049999999999997 110.943 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -85.08 -42.96 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.049999999999997 110.876 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 74.420000000000002 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.130000000000003 110.849 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.31 45.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 65.239999999999995 112.496 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 mt -139.68 -42.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 74.230000000000004 110.946 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -91.01 2.04 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 61.009999999999998 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.83 -5.45 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.585 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 1.2 tm-20 -104.5 -30.74 9.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 110.852 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.459 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.44 -5.16 58.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 110.935 -2.848 . . . . 74.549999999999997 110.936 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.3 -16.73 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 75.219999999999999 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.08 -36.34 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.219999999999999 110.872 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.459 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.93 -62.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 110.936 -2.847 . . . . 71.439999999999998 111.144 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.61 -24.08 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 m -82.14 -32.85 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.019999999999996 111.162 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -15.69 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 60.509999999999998 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 t -80.89 -41.97 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 70.340000000000003 111.155 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -36.72 83.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 74.049999999999997 110.912 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -83.59 -44.99 14.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.879 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.140000000000001 110.939 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.347 . . . . 74.420000000000002 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -62.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 110.835 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.56 -43.08 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 65.239999999999995 112.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -32.94 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 74.230000000000004 110.945 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -97.29 4.23 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 61.009999999999998 110.832 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -16.86 11.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 74.129999999999995 110.87 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.568 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 1.1 tm-20 -93.29 -28.85 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.84 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.445 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.05 -5.4 59.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 110.942 -2.844 . . . . 74.549999999999997 110.89 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -125.97 -16.69 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 110.898 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.0 -36.35 6.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 70.219999999999999 110.849 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.445 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.3 -62.45 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 110.853 -2.885 . . . . 71.439999999999998 111.084 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -26.56 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.7 m -80.19 -32.51 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 73.019999999999996 111.129 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 tpp -79.33 -15.53 57.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 60.509999999999998 110.869 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 t -81.7 -41.36 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 70.340000000000003 111.145 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -36.22 83.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.049999999999997 110.931 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.07 -39.8 17.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 73.049999999999997 110.832 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 71.140000000000001 110.893 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.1 m120 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.873 0.368 . . . . 74.420000000000002 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.76 -38.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.836 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.75 32.53 5.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.239999999999995 112.506 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -38.28 84.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 74.230000000000004 110.949 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 m -91.06 3.19 55.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 61.009999999999998 110.88 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -119.38 -2.09 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.129999999999995 110.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.601 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 13.4 pt-20 -108.4 -30.65 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.249 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -87.37 -7.14 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.942 -2.845 . . . . 74.549999999999997 110.922 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.99 -15.51 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 75.219999999999999 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.09 -34.27 7.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.87 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.249 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.01 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 110.915 -2.857 . . . . 71.439999999999998 111.131 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.46 -28.1 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.961 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.7 m -78.98 -32.78 45.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 73.019999999999996 111.164 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.05 -15.36 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.509999999999998 110.852 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 t -82.0 -41.25 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 70.340000000000003 111.171 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -36.06 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.049999999999997 110.954 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -85.12 -39.98 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 71.140000000000001 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.357 . . . . 74.420000000000002 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 62.130000000000003 110.854 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.01 54.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 65.239999999999995 112.475 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -40.68 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 74.230000000000004 110.915 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -89.4 2.81 53.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 61.009999999999998 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.69 -2.01 11.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.891 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.584 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 1.8 pp20? -107.54 -31.16 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.225 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.5 -4.89 58.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.895 -2.866 . . . . 74.549999999999997 110.927 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -125.92 -17.98 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.84 -36.89 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 70.219999999999999 110.909 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.225 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.33 -60.07 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.956 -2.838 . . . . 71.439999999999998 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -25.88 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.912 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.1 m -80.57 -32.72 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 73.019999999999996 111.134 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.3 -15.39 58.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 60.509999999999998 110.899 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 t -81.77 -41.44 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 70.340000000000003 111.166 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.64 -35.99 82.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 74.049999999999997 110.868 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -85.14 -40.0 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.049999999999997 110.838 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 71.140000000000001 110.914 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 74.420000000000002 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.1 -67.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.833 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.71 47.36 0.68 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 65.239999999999995 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 74.230000000000004 110.926 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -64.6 -42.76 95.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 61.009999999999998 110.858 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.06 -21.87 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.885 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.562 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 56.3 tt0 -82.02 -28.38 32.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.409999999999997 110.885 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 0.562 ' CB1' ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.6 tp -87.13 -5.38 59.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.913 -2.858 . . . . 74.549999999999997 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -125.27 -16.99 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.219999999999999 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -35.51 7.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 70.219999999999999 110.85 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.36 -63.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 110.928 -2.851 . . . . 71.439999999999998 111.12 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.65 -27.76 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.911 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.5 m -79.14 -32.81 44.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 73.019999999999996 111.136 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.25 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 60.509999999999998 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 t -81.8 -41.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 70.340000000000003 111.142 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -35.63 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 74.049999999999997 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.99 -43.24 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.878 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 74.420000000000002 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -55.84 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.130000000000003 110.889 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.55 44.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 65.239999999999995 112.459 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.12 -35.22 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 74.230000000000004 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -95.21 3.93 54.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 61.009999999999998 110.842 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -116.07 -15.79 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.556 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 10.4 pt-20 -94.32 -29.49 15.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 74.409999999999997 110.871 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.222 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.22 -4.89 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.914 -2.857 . . . . 74.549999999999997 110.888 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.68 -18.26 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 75.219999999999999 110.874 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' HB1B ' A' ' 12' ' ' MK8 . 0.7 OUTLIER -105.58 -37.24 6.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.855 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.222 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.79 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.075 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -25.77 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.2 m -80.61 -32.75 36.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 73.019999999999996 111.098 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.32 -15.34 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 60.509999999999998 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -81.79 -41.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.340000000000003 111.157 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -35.96 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.049999999999997 110.92 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -85.16 -40.04 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.049999999999997 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 110.944 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.859 0.362 . . . . 74.420000000000002 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.88 -51.88 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.130000000000003 110.854 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.44 48.97 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 65.239999999999995 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.74 -57.37 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 74.230000000000004 110.933 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 61.009999999999998 110.863 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.58 -21.98 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.876 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.562 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 3.3 tt0 -81.49 -28.44 34.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.855 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 0.562 ' CB1' ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.99 -4.72 59.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.934 -2.848 . . . . 74.549999999999997 110.94 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.41 -17.4 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 75.219999999999999 110.939 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.48 -35.49 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.885 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.93 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.1 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.69 -27.67 12.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.921 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.5 m -79.2 -32.76 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 73.019999999999996 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ttt -79.31 -15.21 58.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.509999999999998 110.895 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 t -81.77 -41.15 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 70.340000000000003 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -35.53 81.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.049999999999997 110.933 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 73.049999999999997 110.856 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 71.140000000000001 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 74.420000000000002 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.03 -52.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 62.130000000000003 110.871 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.94 -57.4 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 65.239999999999995 112.485 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -37.47 79.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 74.230000000000004 110.923 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -92.02 2.36 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 61.009999999999998 110.837 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -118.01 -3.6 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.825 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.574 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 23.5 pt-20 -106.62 -30.95 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 0.574 ' CB1' ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.6 -6.44 58.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 110.917 -2.856 . . . . 74.549999999999997 110.934 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.55 -16.61 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.219999999999999 110.936 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.65 -35.5 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.58 -63.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.944 -2.844 . . . . 71.439999999999998 111.142 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.7 -27.62 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 110.922 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 m -79.39 -32.68 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 73.019999999999996 111.162 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.7 mtt -79.05 -15.48 58.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 60.509999999999998 110.876 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 t -81.94 -41.42 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 70.340000000000003 111.088 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -35.86 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 74.049999999999997 110.864 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -85.13 -40.36 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.049999999999997 110.843 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.140000000000001 110.879 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.34 . . . . 74.420000000000002 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.6 -57.54 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.130000000000003 110.846 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.39 21.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.502 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -87.47 -2.32 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 74.230000000000004 110.923 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -104.44 -41.44 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 61.009999999999998 110.837 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -17.07 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.129999999999995 110.852 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.552 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 0.6 OUTLIER -87.85 -28.08 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 74.409999999999997 110.884 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.438 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.64 -4.97 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.888 -2.869 . . . . 74.549999999999997 110.927 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.15 -16.7 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 75.219999999999999 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.15 -36.35 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 70.219999999999999 110.904 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.438 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.51 -62.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.904 -2.862 . . . . 71.439999999999998 111.085 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.12 12.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 110.944 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.6 m -79.57 -32.76 42.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 73.019999999999996 111.144 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttt -79.39 -15.16 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 60.509999999999998 110.898 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 t -81.81 -41.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.340000000000003 111.141 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -35.62 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 74.049999999999997 110.929 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -85.01 -43.2 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.874 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 71.140000000000001 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 p30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 74.420000000000002 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.81 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 62.130000000000003 110.844 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.86 25.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 65.239999999999995 112.491 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.26 -37.01 85.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 74.230000000000004 110.933 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -92.1 1.65 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 61.009999999999998 110.874 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.49 -4.51 11.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.129999999999995 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.573 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 31.2 tp10 -104.5 -31.26 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.409999999999997 110.891 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 0.573 ' CB1' ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -87.99 -4.21 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 110.879 -2.873 . . . . 74.549999999999997 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -21.0 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.219999999999999 110.936 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' O ' HB1B ' A' ' 12' ' ' MK8 . 0.1 OUTLIER -105.41 -37.02 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.87 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 0.451 HB1B ' O ' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.06 -60.4 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 110.934 -2.848 . . . . 71.439999999999998 111.089 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.67 -26.79 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.953 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.0 m -79.67 -33.11 41.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 73.019999999999996 111.139 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ttt -78.91 -15.35 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 60.509999999999998 110.882 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 t -81.89 -41.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 70.340000000000003 111.135 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -35.89 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 74.049999999999997 110.927 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.13 -40.29 16.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.049999999999997 110.838 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 71.140000000000001 110.916 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 74.420000000000002 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.86 -49.76 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.130000000000003 110.822 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.22 51.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 65.239999999999995 112.453 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.42 -35.85 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 74.230000000000004 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.94 -40.0 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 61.009999999999998 110.811 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.74 -16.47 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.835 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.518 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 22.4 tt0 -81.35 -31.07 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 1.203 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 13.5 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.94 -2.846 . . . . 74.549999999999997 110.927 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -133.47 -31.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 75.219999999999999 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -103.6 -34.62 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 70.219999999999999 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . 1.203 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.02 -59.47 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 110.924 -2.853 . . . . 71.439999999999998 111.115 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -23.58 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 72.120000000000005 110.94 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.0 m -82.2 -33.09 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.019999999999996 111.11 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -15.73 57.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 60.509999999999998 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 t -80.81 -41.98 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 70.340000000000003 111.16 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.64 -36.75 83.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.049999999999997 110.874 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -83.55 -45.12 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 73.049999999999997 110.858 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 71.140000000000001 110.854 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 74.420000000000002 110.822 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -59.18 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 62.130000000000003 110.844 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.96 48.06 0.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.477 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -57.19 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 74.230000000000004 110.923 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -63.53 -43.28 97.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 61.009999999999998 110.855 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -68.91 -21.49 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 74.129999999999995 110.91 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.577 ' O ' ' CB1' ' A' ' 8' ' ' MK8 . 2.8 tt0 -81.86 -28.44 32.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 74.409999999999997 110.89 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MK8 . . . . . 0.577 ' CB1' ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -86.85 -4.73 59.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 110.907 -2.861 . . . . 74.549999999999997 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.35 -16.24 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.2 -35.54 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 70.219999999999999 110.855 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -62.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.929 -2.85 . . . . 71.439999999999998 111.117 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -27.26 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.915 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.6 m -79.59 -32.75 41.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 73.019999999999996 111.099 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -79.21 -15.26 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 60.509999999999998 110.89 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 t -81.89 -41.87 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 70.340000000000003 111.141 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -36.38 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.049999999999997 110.914 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -83.99 -43.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 73.049999999999997 110.868 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 71.140000000000001 110.907 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.341 . . . . 73.340000000000003 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -126.08 -17.08 5.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 64.430000000000007 110.96 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.845 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.786 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.821 0.343 . . . . 71.439999999999998 111.147 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -27.78 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.899 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.64 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.2 m -79.14 -32.75 44.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 61.020000000000003 111.137 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.21 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 60.509999999999998 110.834 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.7 t -81.96 -41.08 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 111.109 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -64.82 -35.58 81.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.129999999999995 110.916 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.06 -42.98 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.049999999999997 110.82 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 52.119999999999997 110.873 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 73.340000000000003 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.98 -17.09 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.430000000000007 110.952 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 70.219999999999999 110.891 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.735 0.302 . . . . 71.439999999999998 111.106 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -27.14 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.918 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.66 -32.65 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 61.020000000000003 111.173 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttt -79.14 -15.44 58.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 60.509999999999998 110.884 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.85 -41.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 51.329999999999998 111.144 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.63 -35.89 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.93 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -85.11 -40.41 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.049999999999997 110.878 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 52.119999999999997 110.885 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.859 0.361 . . . . 73.340000000000003 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.97 -17.13 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.430000000000007 110.879 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 70.219999999999999 110.88 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.776 0.322 . . . . 71.439999999999998 111.087 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -26.99 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.892 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.646 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.84 -32.61 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.020000000000003 111.146 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -15.48 58.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 60.509999999999998 110.865 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.87 -41.45 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 51.329999999999998 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.62 -35.9 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.922 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.09 -40.32 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.049999999999997 110.852 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 52.119999999999997 110.876 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.323 . . . . 73.340000000000003 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.98 -17.16 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 64.430000000000007 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.788 0.327 . . . . 71.439999999999998 111.084 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.72 -27.68 12.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 72.120000000000005 110.931 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.673 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.0 m -79.27 -32.83 43.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 61.020000000000003 111.193 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.25 -15.09 58.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 60.509999999999998 110.889 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 13' ' ' ALA . 10.5 t -81.94 -41.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 51.329999999999998 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -62.97 -36.39 83.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.935 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.72 -45.48 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 110.891 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.862 0.363 . . . . 73.340000000000003 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -16.33 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 64.430000000000007 110.965 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 71.439999999999998 111.106 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -26.72 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.120000000000005 110.895 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.652 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.4 m -80.03 -32.52 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 61.020000000000003 111.161 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.28 -15.53 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.7 t -81.79 -41.46 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 51.329999999999998 111.152 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.53 -35.93 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.129999999999995 110.925 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -85.1 -40.23 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.049999999999997 110.86 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 52.119999999999997 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.855 0.359 . . . . 73.340000000000003 110.936 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -16.78 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 64.430000000000007 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.829 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 71.439999999999998 111.08 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.81 -23.64 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.89 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.532 ' HA ' HD12 ' A' ' 18' ' ' LEU . 59.2 m -82.37 -32.58 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 61.020000000000003 111.138 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -80.05 -15.74 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 60.509999999999998 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.1 t -80.57 -41.34 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 51.329999999999998 111.166 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -65.42 -35.71 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.129999999999995 110.9 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -85.19 -42.41 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.049999999999997 110.855 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 52.119999999999997 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 73.340000000000003 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -18.5 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 110.906 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 70.219999999999999 110.879 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 71.439999999999998 111.076 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -25.93 9.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.884 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.598 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.1 m -80.35 -32.79 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 61.020000000000003 111.17 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -14.96 58.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 60.509999999999998 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.6 t -81.68 -41.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 51.329999999999998 111.133 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -65.22 -35.66 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.129999999999995 110.924 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -85.04 -42.97 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.893 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 52.119999999999997 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 73.340000000000003 110.942 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.1 -18.51 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.898 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.776 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 71.439999999999998 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.03 -25.88 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.891 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.0 m -80.35 -32.87 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 61.020000000000003 111.123 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -14.95 58.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.509999999999998 110.85 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.8 t -81.68 -41.24 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 51.329999999999998 111.107 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -65.21 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.943 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -85.08 -42.96 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.049999999999997 110.876 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 52.119999999999997 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 73.340000000000003 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.3 -16.73 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 64.430000000000007 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.219999999999999 110.872 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.823 0.344 . . . . 71.439999999999998 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.61 -24.08 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.621 ' HA ' HD12 ' A' ' 18' ' ' LEU . 59.6 m -82.14 -32.85 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 61.020000000000003 111.162 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -15.69 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 60.509999999999998 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.8 t -80.89 -41.97 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 51.329999999999998 111.155 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.62 -36.72 83.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.912 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.59 -44.99 14.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.879 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 52.119999999999997 110.939 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.815 0.341 . . . . 73.340000000000003 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -125.97 -16.69 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 110.898 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 70.219999999999999 110.849 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 71.439999999999998 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -26.56 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.7 m -80.19 -32.51 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 61.020000000000003 111.129 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 tpp -79.33 -15.53 57.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 60.509999999999998 110.869 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.7 -41.36 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 51.329999999999998 111.145 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.91 -36.22 83.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 71.129999999999995 110.931 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.07 -39.8 17.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 73.049999999999997 110.832 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 52.119999999999997 110.893 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 73.340000000000003 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.99 -15.51 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 64.430000000000007 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.87 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.836 0.351 . . . . 71.439999999999998 111.131 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.46 -28.1 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.961 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.645 ' HA ' HD12 ' A' ' 18' ' ' LEU . 64.7 m -78.98 -32.78 45.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 61.020000000000003 111.164 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.05 -15.36 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.509999999999998 110.852 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.9 t -82.0 -41.25 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 51.329999999999998 111.171 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.98 -36.06 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.129999999999995 110.954 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -85.12 -39.98 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 52.119999999999997 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.78 0.324 . . . . 73.340000000000003 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -125.92 -17.98 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 64.430000000000007 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 70.219999999999999 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.338 . . . . 71.439999999999998 111.078 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -25.88 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.912 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.1 m -80.57 -32.72 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 61.020000000000003 111.134 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.3 -15.39 58.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 60.509999999999998 110.899 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.7 t -81.77 -41.44 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.329999999999998 111.166 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.64 -35.99 82.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.129999999999995 110.868 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -85.14 -40.0 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.049999999999997 110.838 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 52.119999999999997 110.914 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 73.340000000000003 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -125.27 -16.99 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 70.219999999999999 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 71.439999999999998 111.12 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.65 -27.76 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.911 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.632 ' HA ' HD12 ' A' ' 18' ' ' LEU . 55.5 m -79.14 -32.81 44.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 61.020000000000003 111.136 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.25 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 60.509999999999998 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.3 t -81.8 -41.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 51.329999999999998 111.142 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -64.98 -35.63 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.908 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.99 -43.24 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.878 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 52.119999999999997 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.794 0.33 . . . . 73.340000000000003 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.68 -18.26 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.430000000000007 110.874 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.855 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 71.439999999999998 111.075 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -25.77 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.634 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.2 m -80.61 -32.75 36.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 61.020000000000003 111.098 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.32 -15.34 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 60.509999999999998 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.8 t -81.79 -41.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 111.157 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.68 -35.96 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.92 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -85.16 -40.04 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.049999999999997 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 52.119999999999997 110.944 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.829 0.347 . . . . 73.340000000000003 110.94 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.41 -17.4 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 64.430000000000007 110.939 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.787 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.816 0.341 . . . . 71.439999999999998 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.69 -27.67 12.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.921 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 18' ' ' LEU . 55.5 m -79.2 -32.76 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 61.020000000000003 111.175 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ttt -79.31 -15.21 58.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.509999999999998 110.895 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.3 t -81.77 -41.15 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 51.329999999999998 111.11 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -65.03 -35.53 81.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.129999999999995 110.933 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 73.049999999999997 110.856 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 52.119999999999997 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 73.340000000000003 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.55 -16.61 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.936 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.906 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.798 0.333 . . . . 71.439999999999998 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.7 -27.62 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 110.922 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.655 ' HA ' HD12 ' A' ' 18' ' ' LEU . 58.5 m -79.39 -32.68 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 61.020000000000003 111.162 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.7 mtt -79.05 -15.48 58.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 60.509999999999998 110.876 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.3 t -81.94 -41.42 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 51.329999999999998 111.088 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.63 -35.86 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 71.129999999999995 110.864 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -85.13 -40.36 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.049999999999997 110.843 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.119999999999997 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 73.340000000000003 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.15 -16.7 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.430000000000007 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 70.219999999999999 110.904 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.76 0.314 . . . . 71.439999999999998 111.085 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.12 12.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 110.944 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.622 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.57 -32.76 42.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 61.020000000000003 111.144 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttt -79.39 -15.16 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 60.509999999999998 110.898 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.6 t -81.81 -41.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 51.329999999999998 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -65.02 -35.62 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.929 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -85.01 -43.2 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.874 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 52.119999999999997 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.827 0.346 . . . . 73.340000000000003 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -21.0 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 64.430000000000007 110.936 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.87 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.807 0.337 . . . . 71.439999999999998 111.089 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.67 -26.79 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.953 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.665 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.0 m -79.67 -33.11 41.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 61.020000000000003 111.139 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ttt -78.91 -15.35 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 60.509999999999998 110.882 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.5 t -81.89 -41.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.329999999999998 111.135 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.74 -35.89 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.927 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.13 -40.29 16.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.049999999999997 110.838 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 52.119999999999997 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.835 0.35 . . . . 73.340000000000003 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -133.47 -31.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 64.430000000000007 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 70.219999999999999 110.887 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 71.439999999999998 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -23.58 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 72.120000000000005 110.94 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.629 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.0 m -82.2 -33.09 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 61.020000000000003 111.11 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -15.73 57.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 60.509999999999998 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.0 t -80.81 -41.98 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 51.329999999999998 111.16 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.64 -36.75 83.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 71.129999999999995 110.874 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.55 -45.12 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 73.049999999999997 110.858 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 52.119999999999997 110.854 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.821 0.343 . . . . 73.340000000000003 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.35 -16.24 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.430000000000007 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 70.219999999999999 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.784 0.326 . . . . 71.439999999999998 111.117 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -27.26 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.915 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.59 -32.75 41.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 61.020000000000003 111.099 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -79.21 -15.26 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 60.509999999999998 110.89 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.2 t -81.89 -41.87 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 51.329999999999998 111.141 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -62.49 -36.38 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 71.129999999999995 110.914 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -83.99 -43.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 73.049999999999997 110.868 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 52.119999999999997 110.907 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 61.130000000000003 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.14 -32.4 24.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 62.130000000000003 110.857 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 24.39 44.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 65.239999999999995 112.485 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.8 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 110.919 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -90.97 1.92 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 51.420000000000002 110.858 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -117.53 -2.68 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.748 ' O ' HB1A ' A' ' 8' ' ' MK8 . 0.4 OUTLIER -106.77 -31.17 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 61.439999999999998 110.866 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.508 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 tp -87.44 -5.37 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 110.874 -2.875 . . . . 73.340000000000003 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -126.08 -17.08 5.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 64.430000000000007 110.96 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.1 OUTLIER -105.94 -36.29 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.845 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.508 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.786 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.11 -62.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.976 -2.829 . . . . 71.439999999999998 111.147 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -27.78 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.899 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.64 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.2 m -79.14 -32.75 44.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 61.020000000000003 111.137 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.21 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 60.509999999999998 110.834 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.7 t -81.96 -41.08 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 111.109 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -64.82 -35.58 81.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.129999999999995 110.916 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.06 -42.98 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.049999999999997 110.82 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 52.119999999999997 110.873 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 61.130000000000003 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.78 -37.97 21.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 62.130000000000003 110.833 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.55 26.61 62.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 65.239999999999995 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.18 -37.94 88.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 74.230000000000004 110.903 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -90.82 2.02 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 51.420000000000002 110.858 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -117.71 -2.24 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.761 ' O ' HB1A ' A' ' 8' ' ' MK8 . 30.7 tt0 -107.33 -31.04 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 61.439999999999998 110.854 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.584 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp -87.5 -5.38 58.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.919 -2.855 . . . . 73.340000000000003 110.941 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.98 -17.09 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.430000000000007 110.952 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' O ' HB1A ' A' ' 12' ' ' MK8 . 3.1 mpt_? -106.01 -36.34 6.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 70.219999999999999 110.891 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.584 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.95 -62.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 110.874 -2.875 . . . . 71.439999999999998 111.106 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -27.14 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.918 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.66 -32.65 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 61.020000000000003 111.173 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttt -79.14 -15.44 58.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 60.509999999999998 110.884 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.85 -41.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 51.329999999999998 111.144 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.63 -35.89 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.93 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -85.11 -40.41 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.049999999999997 110.878 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 52.119999999999997 110.885 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 61.130000000000003 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 -51.45 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 62.130000000000003 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.94 29.97 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 65.239999999999995 112.514 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 110.892 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -90.73 1.97 56.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 51.420000000000002 110.863 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -2.26 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.129999999999995 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.753 ' O ' HB1A ' A' ' 8' ' ' MK8 . 27.7 tt0 -107.28 -31.09 8.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 61.439999999999998 110.838 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.625 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.2 tp -87.58 -5.35 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.909 -2.859 . . . . 73.340000000000003 110.926 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.97 -17.13 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.430000000000007 110.879 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.549 ' O ' HB1A ' A' ' 12' ' ' MK8 . 2.4 ttm180 -105.97 -36.43 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 70.219999999999999 110.88 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.625 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.24 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.948 -2.842 . . . . 71.439999999999998 111.087 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -26.99 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.892 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.646 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.84 -32.61 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.020000000000003 111.146 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -15.48 58.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 60.509999999999998 110.865 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.87 -41.45 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 51.329999999999998 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.62 -35.9 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.922 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.09 -40.32 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.049999999999997 110.852 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 52.119999999999997 110.876 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.815 0.341 . . . . 61.130000000000003 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.9 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.82 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.08 22.2 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 65.239999999999995 112.538 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -37.88 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 74.230000000000004 110.88 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -90.95 2.19 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 51.420000000000002 110.805 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.86 -2.42 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.862 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.747 ' O ' HB1A ' A' ' 8' ' ' MK8 . 1.6 tp10 -107.15 -31.11 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 61.439999999999998 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.571 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp -87.54 -5.33 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 110.928 -2.851 . . . . 73.340000000000003 110.887 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.98 -17.16 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 64.430000000000007 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.2 OUTLIER -105.96 -36.34 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.87 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.571 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.67 -63.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 110.909 -2.86 . . . . 71.439999999999998 111.084 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.72 -27.68 12.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 72.120000000000005 110.931 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.673 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.0 m -79.27 -32.83 43.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 61.020000000000003 111.193 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.25 -15.09 58.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 60.509999999999998 110.889 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 13' ' ' ALA . 10.5 t -81.94 -41.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 51.329999999999998 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -62.97 -36.39 83.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.935 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.72 -45.48 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 110.891 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 61.130000000000003 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -91.62 -63.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.130000000000003 110.837 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.26 44.93 0.83 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 65.239999999999995 112.505 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.24 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 74.230000000000004 110.912 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -42.67 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 51.420000000000002 110.812 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -69.24 -21.79 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.883 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.759 ' O ' HB1A ' A' ' 8' ' ' MK8 . 2.6 tt0 -82.08 -28.29 32.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 61.439999999999998 110.908 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.4 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.89 -4.71 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.9 -2.864 . . . . 73.340000000000003 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -16.33 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 64.430000000000007 110.965 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.96 -35.84 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.898 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.4 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.54 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.898 -2.864 . . . . 71.439999999999998 111.106 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -26.72 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.120000000000005 110.895 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.652 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.4 m -80.03 -32.52 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 61.020000000000003 111.161 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.28 -15.53 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.7 t -81.79 -41.46 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 51.329999999999998 111.152 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.53 -35.93 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.129999999999995 110.925 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -85.1 -40.23 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.049999999999997 110.86 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 52.119999999999997 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 61.130000000000003 110.866 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -66.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.130000000000003 110.893 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.04 -36.8 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.468 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mt -92.21 -37.14 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 74.230000000000004 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -92.59 2.42 56.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 51.420000000000002 110.843 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -117.74 -4.4 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.129999999999995 110.85 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.74 ' O ' HB1A ' A' ' 8' ' ' MK8 . 23.8 pt-20 -105.18 -30.93 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 61.439999999999998 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.447 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -5.11 58.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 110.919 -2.855 . . . . 73.340000000000003 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -16.78 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 64.430000000000007 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' HB1A ' A' ' 12' ' ' MK8 . 3.3 ttp180 -106.15 -36.29 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.829 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.447 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.07 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.08 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.81 -23.64 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.89 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.532 ' HA ' HD12 ' A' ' 18' ' ' LEU . 59.2 m -82.37 -32.58 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 61.020000000000003 111.138 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -80.05 -15.74 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 60.509999999999998 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.1 t -80.57 -41.34 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 51.329999999999998 111.166 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -65.42 -35.71 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.129999999999995 110.9 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -85.19 -42.41 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.049999999999997 110.855 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 52.119999999999997 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.822 0.344 . . . . 61.130000000000003 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -60.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 110.85 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.87 31.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 65.239999999999995 112.469 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -41.71 89.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 74.230000000000004 110.91 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -88.05 1.9 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 51.420000000000002 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -1.89 11.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.862 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.756 ' O ' HB1A ' A' ' 8' ' ' MK8 . 2.5 tm-20 -107.13 -31.39 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 61.439999999999998 110.89 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.521 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.3 tp -87.57 -4.93 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 110.864 -2.88 . . . . 73.340000000000003 110.918 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -18.5 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 110.906 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.616 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.63 -36.99 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 70.219999999999999 110.879 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.521 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.88 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 110.956 -2.838 . . . . 71.439999999999998 111.076 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -25.93 9.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.884 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.598 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.1 m -80.35 -32.79 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 61.020000000000003 111.17 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -14.96 58.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 60.509999999999998 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.6 t -81.68 -41.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 51.329999999999998 111.133 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -65.22 -35.66 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.129999999999995 110.924 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -85.04 -42.97 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.893 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 52.119999999999997 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 61.130000000000003 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.57 -55.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.130000000000003 110.844 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.9 27.62 4.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 65.239999999999995 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.25 -37.36 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 74.230000000000004 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -91.64 2.05 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 51.420000000000002 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.29 -3.55 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.745 ' O ' HB1A ' A' ' 8' ' ' MK8 . 4.8 tt0 -105.72 -31.17 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 61.439999999999998 110.883 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.543 ' CE ' ' HEA' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -4.82 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 110.885 -2.87 . . . . 73.340000000000003 110.942 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.1 -18.51 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.898 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.614 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.67 -37.03 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.888 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.543 ' HEA' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.776 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.39 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.888 -2.869 . . . . 71.439999999999998 111.099 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.03 -25.88 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.891 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.0 m -80.35 -32.87 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 61.020000000000003 111.123 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -14.95 58.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.509999999999998 110.85 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.8 t -81.68 -41.24 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 51.329999999999998 111.107 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -65.21 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.943 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -85.08 -42.96 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.049999999999997 110.876 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 52.119999999999997 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 61.130000000000003 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.130000000000003 110.849 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.31 45.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 65.239999999999995 112.496 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 mt -139.68 -42.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 74.230000000000004 110.946 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -91.01 2.04 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 51.420000000000002 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.83 -5.45 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.759 ' O ' HB1A ' A' ' 8' ' ' MK8 . 1.2 tm-20 -104.5 -30.74 9.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 61.439999999999998 110.852 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.459 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.44 -5.16 58.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 110.935 -2.848 . . . . 73.340000000000003 110.936 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.3 -16.73 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 64.430000000000007 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.54 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.2 OUTLIER -106.08 -36.34 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.219999999999999 110.872 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.459 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.93 -62.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 110.936 -2.847 . . . . 71.439999999999998 111.144 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.61 -24.08 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.621 ' HA ' HD12 ' A' ' 18' ' ' LEU . 59.6 m -82.14 -32.85 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 61.020000000000003 111.162 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -15.69 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 60.509999999999998 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.8 t -80.89 -41.97 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 51.329999999999998 111.155 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.62 -36.72 83.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.912 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.59 -44.99 14.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.879 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 52.119999999999997 110.939 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.347 . . . . 61.130000000000003 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -62.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 110.835 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.56 -43.08 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 65.239999999999995 112.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -32.94 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 74.230000000000004 110.945 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.608 ' O ' HD12 ' A' ' 9' ' ' LEU . 37.0 m -97.29 4.23 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 51.420000000000002 110.832 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -16.86 11.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 74.129999999999995 110.87 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.754 ' O ' HB1A ' A' ' 8' ' ' MK8 . 1.1 tm-20 -93.29 -28.85 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 61.439999999999998 110.84 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.445 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -87.05 -5.4 59.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 110.942 -2.844 . . . . 73.340000000000003 110.89 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -125.97 -16.69 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 110.898 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -106.0 -36.35 6.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 70.219999999999999 110.849 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.445 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.3 -62.45 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 110.853 -2.885 . . . . 71.439999999999998 111.084 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -26.56 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.7 m -80.19 -32.51 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 61.020000000000003 111.129 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 tpp -79.33 -15.53 57.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 60.509999999999998 110.869 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.7 -41.36 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 51.329999999999998 111.145 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.91 -36.22 83.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 71.129999999999995 110.931 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.07 -39.8 17.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 73.049999999999997 110.832 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 52.119999999999997 110.893 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.1 m120 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.873 0.368 . . . . 61.130000000000003 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.76 -38.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.836 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.75 32.53 5.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.239999999999995 112.506 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -38.28 84.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 74.230000000000004 110.949 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 m -91.06 3.19 55.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 51.420000000000002 110.88 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -119.38 -2.09 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.129999999999995 110.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.75 ' O ' HB1A ' A' ' 8' ' ' MK8 . 13.4 pt-20 -108.4 -30.65 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 61.439999999999998 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.377 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -87.37 -7.14 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.942 -2.845 . . . . 73.340000000000003 110.922 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.99 -15.51 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 64.430000000000007 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.6 OUTLIER -106.09 -34.27 7.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.87 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.377 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -75.01 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 110.915 -2.857 . . . . 71.439999999999998 111.131 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.46 -28.1 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.961 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.645 ' HA ' HD12 ' A' ' 18' ' ' LEU . 64.7 m -78.98 -32.78 45.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 61.020000000000003 111.164 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.05 -15.36 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.509999999999998 110.852 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.9 t -82.0 -41.25 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 51.329999999999998 111.171 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.98 -36.06 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.129999999999995 110.954 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -85.12 -39.98 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 52.119999999999997 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.357 . . . . 61.130000000000003 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 62.130000000000003 110.854 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.01 54.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 65.239999999999995 112.475 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -40.68 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 74.230000000000004 110.915 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -89.4 2.81 53.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 51.420000000000002 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.69 -2.01 11.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.891 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.743 ' O ' HB1A ' A' ' 8' ' ' MK8 . 1.8 pp20? -107.54 -31.16 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 61.439999999999998 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.608 ' CE ' ' HEA' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.5 -4.89 58.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.895 -2.866 . . . . 73.340000000000003 110.927 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -125.92 -17.98 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 64.430000000000007 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.59 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.84 -36.89 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 70.219999999999999 110.909 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.608 ' HEA' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.33 -60.07 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.956 -2.838 . . . . 71.439999999999998 111.078 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -25.88 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.912 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.1 m -80.57 -32.72 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 61.020000000000003 111.134 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.3 -15.39 58.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 60.509999999999998 110.899 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.7 t -81.77 -41.44 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.329999999999998 111.166 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.64 -35.99 82.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.129999999999995 110.868 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -85.14 -40.0 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.049999999999997 110.838 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 52.119999999999997 110.914 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 61.130000000000003 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.1 -67.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.833 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.71 47.36 0.68 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 65.239999999999995 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 74.230000000000004 110.926 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -64.6 -42.76 95.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 51.420000000000002 110.858 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.06 -21.87 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.885 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.731 ' O ' HB1A ' A' ' 8' ' ' MK8 . 56.3 tt0 -82.02 -28.38 32.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 61.439999999999998 110.885 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 0.731 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.6 tp -87.13 -5.38 59.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.913 -2.858 . . . . 73.340000000000003 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -125.27 -16.99 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.57 -35.51 7.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 70.219999999999999 110.85 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 0.561 HB1A ' HB ' ' A' ' 15' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.36 -63.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 110.928 -2.851 . . . . 71.439999999999998 111.12 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.65 -27.76 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.911 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.632 ' HA ' HD12 ' A' ' 18' ' ' LEU . 55.5 m -79.14 -32.81 44.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 61.020000000000003 111.136 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.25 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 60.509999999999998 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.3 t -81.8 -41.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 51.329999999999998 111.142 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -64.98 -35.63 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.908 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.99 -43.24 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.878 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 52.119999999999997 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 61.130000000000003 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -55.84 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.130000000000003 110.889 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.55 44.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 65.239999999999995 112.459 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.12 -35.22 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 74.230000000000004 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.618 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.2 t -95.21 3.93 54.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 51.420000000000002 110.842 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -116.07 -15.79 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.755 ' O ' HB1A ' A' ' 8' ' ' MK8 . 10.4 pt-20 -94.32 -29.49 15.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 61.439999999999998 110.871 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.526 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 5' ' ' SER . 0.8 OUTLIER -87.22 -4.89 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.914 -2.857 . . . . 73.340000000000003 110.888 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.68 -18.26 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.430000000000007 110.874 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.62 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.7 OUTLIER -105.58 -37.24 6.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.855 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.526 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.79 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.075 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -25.77 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.634 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.2 m -80.61 -32.75 36.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 61.020000000000003 111.098 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.32 -15.34 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 60.509999999999998 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.8 t -81.79 -41.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 111.157 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.68 -35.96 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.92 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -85.16 -40.04 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.049999999999997 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 52.119999999999997 110.944 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.859 0.362 . . . . 61.130000000000003 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.88 -51.88 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.130000000000003 110.854 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.44 48.97 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 65.239999999999995 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.74 -57.37 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 74.230000000000004 110.933 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 51.420000000000002 110.863 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.58 -21.98 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.876 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.738 ' O ' HB1A ' A' ' 8' ' ' MK8 . 3.3 tt0 -81.49 -28.44 34.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 61.439999999999998 110.855 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 0.738 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.99 -4.72 59.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.934 -2.848 . . . . 73.340000000000003 110.94 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.41 -17.4 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 64.430000000000007 110.939 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.3 OUTLIER -105.48 -35.49 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.885 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 0.572 HB1A ' HB ' ' A' ' 15' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.787 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.93 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.1 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.69 -27.67 12.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.921 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 18' ' ' LEU . 55.5 m -79.2 -32.76 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 61.020000000000003 111.175 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ttt -79.31 -15.21 58.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.509999999999998 110.895 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.3 t -81.77 -41.15 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 51.329999999999998 111.11 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -65.03 -35.53 81.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.129999999999995 110.933 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 73.049999999999997 110.856 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 52.119999999999997 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 61.130000000000003 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.03 -52.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 62.130000000000003 110.871 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.94 -57.4 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 65.239999999999995 112.485 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -37.47 79.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 74.230000000000004 110.923 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -92.02 2.36 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 51.420000000000002 110.837 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -118.01 -3.6 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.825 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.739 ' O ' HB1A ' A' ' 8' ' ' MK8 . 23.5 pt-20 -106.62 -30.95 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 61.439999999999998 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 0.739 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.6 -6.44 58.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 110.917 -2.856 . . . . 73.340000000000003 110.934 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.55 -16.61 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.936 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.1 OUTLIER -105.65 -35.5 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.906 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 0.583 HB1A ' HB ' ' A' ' 15' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.58 -63.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.944 -2.844 . . . . 71.439999999999998 111.142 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.7 -27.62 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 110.922 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.655 ' HA ' HD12 ' A' ' 18' ' ' LEU . 58.5 m -79.39 -32.68 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 61.020000000000003 111.162 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.7 mtt -79.05 -15.48 58.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 60.509999999999998 110.876 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.3 t -81.94 -41.42 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 51.329999999999998 111.088 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.63 -35.86 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 71.129999999999995 110.864 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -85.13 -40.36 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.049999999999997 110.843 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.119999999999997 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.34 . . . . 61.130000000000003 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.427 ' OG ' HD23 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -103.6 -57.54 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.130000000000003 110.846 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.39 21.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.502 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.427 HD23 ' OG ' ' A' ' 2' ' ' SER . 4.4 mm? -87.47 -2.32 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 74.230000000000004 110.923 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -104.44 -41.44 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 51.420000000000002 110.837 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -17.07 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.129999999999995 110.852 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.753 ' O ' HB1A ' A' ' 8' ' ' MK8 . 0.6 OUTLIER -87.85 -28.08 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 61.439999999999998 110.884 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.44 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.64 -4.97 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.888 -2.869 . . . . 73.340000000000003 110.927 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.15 -16.7 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.430000000000007 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.529 ' O ' HB1A ' A' ' 12' ' ' MK8 . 1.0 OUTLIER -106.15 -36.35 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 70.219999999999999 110.904 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.44 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.51 -62.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.904 -2.862 . . . . 71.439999999999998 111.085 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.12 12.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 110.944 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.622 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.57 -32.76 42.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 61.020000000000003 111.144 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttt -79.39 -15.16 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 60.509999999999998 110.898 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.6 t -81.81 -41.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 51.329999999999998 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -65.02 -35.62 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.929 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -85.01 -43.2 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.874 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 52.119999999999997 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 p30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 61.130000000000003 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.81 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 62.130000000000003 110.844 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.86 25.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 65.239999999999995 112.491 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.26 -37.01 85.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 74.230000000000004 110.933 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -92.1 1.65 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 51.420000000000002 110.874 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.49 -4.51 11.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.129999999999995 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.738 ' O ' HB1A ' A' ' 8' ' ' MK8 . 31.2 tp10 -104.5 -31.26 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 61.439999999999998 110.891 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 0.738 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -87.99 -4.21 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 110.879 -2.873 . . . . 73.340000000000003 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -21.0 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 64.430000000000007 110.936 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.648 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.1 OUTLIER -105.41 -37.02 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.87 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 0.648 HB1A ' O ' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -74.06 -60.4 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 110.934 -2.848 . . . . 71.439999999999998 111.089 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.67 -26.79 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.953 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.665 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.0 m -79.67 -33.11 41.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 61.020000000000003 111.139 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ttt -78.91 -15.35 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 60.509999999999998 110.882 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.5 t -81.89 -41.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.329999999999998 111.135 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.74 -35.89 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.927 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.13 -40.29 16.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.049999999999997 110.838 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 52.119999999999997 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 61.130000000000003 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.86 -49.76 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.130000000000003 110.822 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.22 51.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 65.239999999999995 112.453 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.42 -35.85 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 74.230000000000004 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.94 -40.0 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 51.420000000000002 110.811 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.74 -16.47 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.835 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.723 ' O ' HB1A ' A' ' 8' ' ' MK8 . 22.4 tt0 -81.35 -31.07 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 61.439999999999998 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 1.419 ' CE ' ' HEA' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 13.5 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.94 -2.846 . . . . 73.340000000000003 110.927 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -133.47 -31.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 64.430000000000007 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.572 ' O ' HB1A ' A' ' 12' ' ' MK8 . 9.7 mtt180 -103.6 -34.62 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 70.219999999999999 110.887 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 1.419 ' HEA' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -74.02 -59.47 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 110.924 -2.853 . . . . 71.439999999999998 111.115 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -23.58 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 72.120000000000005 110.94 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.629 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.0 m -82.2 -33.09 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 61.020000000000003 111.11 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -15.73 57.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 60.509999999999998 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.0 t -80.81 -41.98 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 51.329999999999998 111.16 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.64 -36.75 83.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 71.129999999999995 110.874 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.55 -45.12 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 73.049999999999997 110.858 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 52.119999999999997 110.854 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 61.130000000000003 110.822 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -59.18 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 62.130000000000003 110.844 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.96 48.06 0.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.477 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -57.19 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 74.230000000000004 110.923 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -63.53 -43.28 97.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 51.420000000000002 110.855 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -68.91 -21.49 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 74.129999999999995 110.91 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.753 ' O ' HB1A ' A' ' 8' ' ' MK8 . 2.8 tt0 -81.86 -28.44 32.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 61.439999999999998 110.89 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MK8 . . . . . 0.753 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -86.85 -4.73 59.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 110.907 -2.861 . . . . 73.340000000000003 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.35 -16.24 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.430000000000007 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.4 OUTLIER -106.2 -35.54 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 70.219999999999999 110.855 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MK8 . . . . . 0.53 HB1A ' O ' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.78 -62.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.929 -2.85 . . . . 71.439999999999998 111.117 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -27.26 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.915 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.59 -32.75 41.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 61.020000000000003 111.099 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -79.21 -15.26 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 60.509999999999998 110.89 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.2 t -81.89 -41.87 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 51.329999999999998 111.141 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -62.49 -36.38 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 71.129999999999995 110.914 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -83.99 -43.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 73.049999999999997 110.868 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 52.119999999999997 110.907 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.341 . . . . 73.340000000000003 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -126.08 -17.08 5.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 64.430000000000007 110.96 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.845 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.786 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.821 0.343 . . . . 71.439999999999998 111.147 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -27.78 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.899 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.64 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.2 m -79.14 -32.75 44.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 61.020000000000003 111.137 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.21 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 60.509999999999998 110.834 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.7 t -81.96 -41.08 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 111.109 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -64.82 -35.58 81.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.129999999999995 110.916 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.06 -42.98 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.049999999999997 110.82 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 52.119999999999997 110.873 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 73.340000000000003 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.98 -17.09 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.430000000000007 110.952 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 70.219999999999999 110.891 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.735 0.302 . . . . 71.439999999999998 111.106 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -27.14 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.918 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.66 -32.65 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 61.020000000000003 111.173 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttt -79.14 -15.44 58.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 60.509999999999998 110.884 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.85 -41.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 51.329999999999998 111.144 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.63 -35.89 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.93 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -85.11 -40.41 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.049999999999997 110.878 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 52.119999999999997 110.885 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.859 0.361 . . . . 73.340000000000003 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.97 -17.13 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.430000000000007 110.879 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 70.219999999999999 110.88 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.776 0.322 . . . . 71.439999999999998 111.087 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -26.99 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.892 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.646 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.84 -32.61 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.020000000000003 111.146 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -15.48 58.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 60.509999999999998 110.865 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.87 -41.45 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 51.329999999999998 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.62 -35.9 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.922 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.09 -40.32 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.049999999999997 110.852 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 52.119999999999997 110.876 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.323 . . . . 73.340000000000003 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.98 -17.16 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 64.430000000000007 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.788 0.327 . . . . 71.439999999999998 111.084 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.72 -27.68 12.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 72.120000000000005 110.931 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.673 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.0 m -79.27 -32.83 43.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 61.020000000000003 111.193 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.25 -15.09 58.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 60.509999999999998 110.889 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 13' ' ' ALA . 10.5 t -81.94 -41.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 51.329999999999998 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -62.97 -36.39 83.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.935 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -83.72 -45.48 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 110.891 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.862 0.363 . . . . 73.340000000000003 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -16.33 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 64.430000000000007 110.965 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 71.439999999999998 111.106 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -26.72 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.120000000000005 110.895 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.652 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.4 m -80.03 -32.52 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 61.020000000000003 111.161 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.28 -15.53 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.7 t -81.79 -41.46 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 51.329999999999998 111.152 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.53 -35.93 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.129999999999995 110.925 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -85.1 -40.23 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.049999999999997 110.86 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 52.119999999999997 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.855 0.359 . . . . 73.340000000000003 110.936 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -16.78 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 64.430000000000007 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.829 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 71.439999999999998 111.08 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.81 -23.64 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.89 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.532 ' HA ' HD12 ' A' ' 18' ' ' LEU . 59.2 m -82.37 -32.58 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 61.020000000000003 111.138 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -80.05 -15.74 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 60.509999999999998 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.1 t -80.57 -41.34 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 51.329999999999998 111.166 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -65.42 -35.71 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.129999999999995 110.9 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -85.19 -42.41 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.049999999999997 110.855 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 52.119999999999997 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 73.340000000000003 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -18.5 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 110.906 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 70.219999999999999 110.879 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 71.439999999999998 111.076 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -25.93 9.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.884 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.598 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.1 m -80.35 -32.79 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 61.020000000000003 111.17 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -14.96 58.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 60.509999999999998 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.6 t -81.68 -41.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 51.329999999999998 111.133 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -65.22 -35.66 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.129999999999995 110.924 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -85.04 -42.97 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.893 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 52.119999999999997 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 73.340000000000003 110.942 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.1 -18.51 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.898 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.776 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 71.439999999999998 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.03 -25.88 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.891 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.0 m -80.35 -32.87 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 61.020000000000003 111.123 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -14.95 58.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.509999999999998 110.85 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.8 t -81.68 -41.24 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 51.329999999999998 111.107 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -65.21 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.943 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -85.08 -42.96 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.049999999999997 110.876 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 52.119999999999997 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 73.340000000000003 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.3 -16.73 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 64.430000000000007 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.219999999999999 110.872 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.823 0.344 . . . . 71.439999999999998 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.61 -24.08 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.621 ' HA ' HD12 ' A' ' 18' ' ' LEU . 59.6 m -82.14 -32.85 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 61.020000000000003 111.162 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -15.69 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 60.509999999999998 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.8 t -80.89 -41.97 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 51.329999999999998 111.155 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.62 -36.72 83.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.912 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -83.59 -44.99 14.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.879 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 52.119999999999997 110.939 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.815 0.341 . . . . 73.340000000000003 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -125.97 -16.69 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 110.898 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 70.219999999999999 110.849 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 71.439999999999998 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -26.56 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.7 m -80.19 -32.51 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 61.020000000000003 111.129 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 tpp -79.33 -15.53 57.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 60.509999999999998 110.869 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.7 -41.36 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 51.329999999999998 111.145 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.91 -36.22 83.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 71.129999999999995 110.931 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.07 -39.8 17.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 73.049999999999997 110.832 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 52.119999999999997 110.893 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 73.340000000000003 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.99 -15.51 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 64.430000000000007 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.87 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.836 0.351 . . . . 71.439999999999998 111.131 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.46 -28.1 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.961 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.645 ' HA ' HD12 ' A' ' 18' ' ' LEU . 64.7 m -78.98 -32.78 45.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 61.020000000000003 111.164 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.05 -15.36 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.509999999999998 110.852 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.9 t -82.0 -41.25 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 51.329999999999998 111.171 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.98 -36.06 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.129999999999995 110.954 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -85.12 -39.98 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 52.119999999999997 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.78 0.324 . . . . 73.340000000000003 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -125.92 -17.98 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 64.430000000000007 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 70.219999999999999 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.338 . . . . 71.439999999999998 111.078 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -25.88 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.912 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.1 m -80.57 -32.72 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 61.020000000000003 111.134 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.3 -15.39 58.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 60.509999999999998 110.899 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.7 t -81.77 -41.44 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.329999999999998 111.166 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.64 -35.99 82.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.129999999999995 110.868 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -85.14 -40.0 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.049999999999997 110.838 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 52.119999999999997 110.914 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 73.340000000000003 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -125.27 -16.99 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 70.219999999999999 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 71.439999999999998 111.12 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.65 -27.76 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.911 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.632 ' HA ' HD12 ' A' ' 18' ' ' LEU . 55.5 m -79.14 -32.81 44.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 61.020000000000003 111.136 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.25 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 60.509999999999998 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.3 t -81.8 -41.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 51.329999999999998 111.142 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -64.98 -35.63 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.908 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.99 -43.24 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.878 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 52.119999999999997 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.794 0.33 . . . . 73.340000000000003 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.68 -18.26 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.430000000000007 110.874 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.855 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 71.439999999999998 111.075 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -25.77 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.634 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.2 m -80.61 -32.75 36.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 61.020000000000003 111.098 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.32 -15.34 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 60.509999999999998 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.8 t -81.79 -41.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 111.157 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.68 -35.96 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.92 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -85.16 -40.04 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.049999999999997 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 52.119999999999997 110.944 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.829 0.347 . . . . 73.340000000000003 110.94 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.41 -17.4 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 64.430000000000007 110.939 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.787 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.816 0.341 . . . . 71.439999999999998 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.69 -27.67 12.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.921 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 18' ' ' LEU . 55.5 m -79.2 -32.76 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 61.020000000000003 111.175 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ttt -79.31 -15.21 58.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.509999999999998 110.895 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.3 t -81.77 -41.15 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 51.329999999999998 111.11 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -65.03 -35.53 81.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.129999999999995 110.933 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 73.049999999999997 110.856 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 52.119999999999997 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 73.340000000000003 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.55 -16.61 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.936 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.906 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.798 0.333 . . . . 71.439999999999998 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.7 -27.62 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 110.922 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.655 ' HA ' HD12 ' A' ' 18' ' ' LEU . 58.5 m -79.39 -32.68 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 61.020000000000003 111.162 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.7 mtt -79.05 -15.48 58.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 60.509999999999998 110.876 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.3 t -81.94 -41.42 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 51.329999999999998 111.088 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.63 -35.86 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 71.129999999999995 110.864 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -85.13 -40.36 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.049999999999997 110.843 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.119999999999997 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 73.340000000000003 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.15 -16.7 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.430000000000007 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 70.219999999999999 110.904 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.76 0.314 . . . . 71.439999999999998 111.085 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.12 12.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 110.944 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.622 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.57 -32.76 42.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 61.020000000000003 111.144 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttt -79.39 -15.16 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 60.509999999999998 110.898 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.6 t -81.81 -41.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 51.329999999999998 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -65.02 -35.62 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.929 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -85.01 -43.2 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.874 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 52.119999999999997 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.827 0.346 . . . . 73.340000000000003 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -21.0 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 64.430000000000007 110.936 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.87 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.807 0.337 . . . . 71.439999999999998 111.089 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.67 -26.79 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.953 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.665 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.0 m -79.67 -33.11 41.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 61.020000000000003 111.139 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ttt -78.91 -15.35 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 60.509999999999998 110.882 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.5 t -81.89 -41.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.329999999999998 111.135 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.74 -35.89 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.927 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.13 -40.29 16.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.049999999999997 110.838 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 52.119999999999997 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.835 0.35 . . . . 73.340000000000003 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -133.47 -31.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 64.430000000000007 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 70.219999999999999 110.887 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 71.439999999999998 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -23.58 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 72.120000000000005 110.94 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.629 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.0 m -82.2 -33.09 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 61.020000000000003 111.11 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -15.73 57.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 60.509999999999998 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.0 t -80.81 -41.98 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 51.329999999999998 111.16 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.64 -36.75 83.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 71.129999999999995 110.874 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -83.55 -45.12 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 73.049999999999997 110.858 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 52.119999999999997 110.854 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.821 0.343 . . . . 73.340000000000003 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.35 -16.24 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.430000000000007 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 70.219999999999999 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.784 0.326 . . . . 71.439999999999998 111.117 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -27.26 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.915 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.59 -32.75 41.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 61.020000000000003 111.099 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -79.21 -15.26 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 60.509999999999998 110.89 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.2 t -81.89 -41.87 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 51.329999999999998 111.141 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -62.49 -36.38 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 71.129999999999995 110.914 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -83.99 -43.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 73.049999999999997 110.868 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 52.119999999999997 110.907 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 61.130000000000003 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.14 -32.4 24.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 62.130000000000003 110.857 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 24.39 44.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 65.239999999999995 112.485 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.8 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 110.919 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -90.97 1.92 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 51.420000000000002 110.858 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -117.53 -2.68 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.748 ' O ' HB1A ' A' ' 8' ' ' MK8 . 0.4 OUTLIER -106.77 -31.17 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 61.439999999999998 110.866 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.508 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 tp -87.44 -5.37 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 110.874 -2.875 . . . . 73.340000000000003 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -126.08 -17.08 5.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 64.430000000000007 110.96 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.1 OUTLIER -105.94 -36.29 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.845 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.508 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.786 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.11 -62.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.976 -2.829 . . . . 71.439999999999998 111.147 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -27.78 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.899 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.64 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.2 m -79.14 -32.75 44.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 61.020000000000003 111.137 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.21 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 60.509999999999998 110.834 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.7 t -81.96 -41.08 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 111.109 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -64.82 -35.58 81.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.129999999999995 110.916 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.06 -42.98 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.049999999999997 110.82 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 52.119999999999997 110.873 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 61.130000000000003 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.78 -37.97 21.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 62.130000000000003 110.833 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.55 26.61 62.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 65.239999999999995 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.18 -37.94 88.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 74.230000000000004 110.903 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -90.82 2.02 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 51.420000000000002 110.858 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -117.71 -2.24 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.761 ' O ' HB1A ' A' ' 8' ' ' MK8 . 30.7 tt0 -107.33 -31.04 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 61.439999999999998 110.854 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.584 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp -87.5 -5.38 58.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.919 -2.855 . . . . 73.340000000000003 110.941 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.98 -17.09 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.430000000000007 110.952 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' O ' HB1A ' A' ' 12' ' ' MK8 . 3.1 mpt_? -106.01 -36.34 6.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 70.219999999999999 110.891 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.584 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.95 -62.45 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 110.874 -2.875 . . . . 71.439999999999998 111.106 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -27.14 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.918 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.66 -32.65 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 61.020000000000003 111.173 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttt -79.14 -15.44 58.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 60.509999999999998 110.884 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.85 -41.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 51.329999999999998 111.144 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.63 -35.89 82.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.93 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -85.11 -40.41 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.049999999999997 110.878 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 52.119999999999997 110.885 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 61.130000000000003 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 -51.45 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 62.130000000000003 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.94 29.97 6.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 65.239999999999995 112.514 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 110.892 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -90.73 1.97 56.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 51.420000000000002 110.863 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -2.26 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.129999999999995 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.753 ' O ' HB1A ' A' ' 8' ' ' MK8 . 27.7 tt0 -107.28 -31.09 8.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 61.439999999999998 110.838 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.625 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.2 tp -87.58 -5.35 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.909 -2.859 . . . . 73.340000000000003 110.926 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.97 -17.13 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 64.430000000000007 110.879 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.549 ' O ' HB1A ' A' ' 12' ' ' MK8 . 2.4 ttm180 -105.97 -36.43 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 70.219999999999999 110.88 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.625 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.24 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.948 -2.842 . . . . 71.439999999999998 111.087 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -26.99 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.892 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.646 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.84 -32.61 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.020000000000003 111.146 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -15.48 58.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 60.509999999999998 110.865 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.87 -41.45 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 51.329999999999998 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.62 -35.9 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.922 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.09 -40.32 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.049999999999997 110.852 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 52.119999999999997 110.876 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.815 0.341 . . . . 61.130000000000003 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.9 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.82 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.08 22.2 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 65.239999999999995 112.538 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -37.88 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 74.230000000000004 110.88 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -90.95 2.19 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 51.420000000000002 110.805 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.86 -2.42 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.862 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.747 ' O ' HB1A ' A' ' 8' ' ' MK8 . 1.6 tp10 -107.15 -31.11 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 61.439999999999998 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.571 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.0 tp -87.54 -5.33 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 110.928 -2.851 . . . . 73.340000000000003 110.887 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.98 -17.16 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 64.430000000000007 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.2 OUTLIER -105.96 -36.34 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.87 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.571 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.67 -63.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 110.909 -2.86 . . . . 71.439999999999998 111.084 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.72 -27.68 12.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 72.120000000000005 110.931 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.673 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.0 m -79.27 -32.83 43.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 61.020000000000003 111.193 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.25 -15.09 58.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 60.509999999999998 110.889 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 13' ' ' ALA . 10.5 t -81.94 -41.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 51.329999999999998 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -62.97 -36.39 83.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.935 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -83.72 -45.48 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 110.891 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 61.130000000000003 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -91.62 -63.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.130000000000003 110.837 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.26 44.93 0.83 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 65.239999999999995 112.505 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.24 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 74.230000000000004 110.912 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -42.67 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 51.420000000000002 110.812 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -69.24 -21.79 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.883 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.759 ' O ' HB1A ' A' ' 8' ' ' MK8 . 2.6 tt0 -82.08 -28.29 32.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 61.439999999999998 110.908 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.4 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.89 -4.71 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.9 -2.864 . . . . 73.340000000000003 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -16.33 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 64.430000000000007 110.965 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.96 -35.84 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 70.219999999999999 110.898 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.4 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.54 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.898 -2.864 . . . . 71.439999999999998 111.106 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -26.72 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.120000000000005 110.895 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.652 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.4 m -80.03 -32.52 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 61.020000000000003 111.161 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.28 -15.53 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.7 t -81.79 -41.46 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 51.329999999999998 111.152 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.53 -35.93 82.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.129999999999995 110.925 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -85.1 -40.23 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.049999999999997 110.86 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 52.119999999999997 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 61.130000000000003 110.866 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -66.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.130000000000003 110.893 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.04 -36.8 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.468 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mt -92.21 -37.14 12.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 74.230000000000004 110.917 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -92.59 2.42 56.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 51.420000000000002 110.843 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -117.74 -4.4 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 74.129999999999995 110.85 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.74 ' O ' HB1A ' A' ' 8' ' ' MK8 . 23.8 pt-20 -105.18 -30.93 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 61.439999999999998 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.447 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.45 -5.11 58.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 110.919 -2.855 . . . . 73.340000000000003 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.33 -16.78 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 64.430000000000007 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' HB1A ' A' ' 12' ' ' MK8 . 3.3 ttp180 -106.15 -36.29 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.829 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.447 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.07 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.08 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.81 -23.64 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.89 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.532 ' HA ' HD12 ' A' ' 18' ' ' LEU . 59.2 m -82.37 -32.58 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 61.020000000000003 111.138 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -80.05 -15.74 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 60.509999999999998 110.893 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.1 t -80.57 -41.34 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 51.329999999999998 111.166 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -65.42 -35.71 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.129999999999995 110.9 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -85.19 -42.41 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.049999999999997 110.855 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 52.119999999999997 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.822 0.344 . . . . 61.130000000000003 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -60.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 110.85 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.87 31.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 65.239999999999995 112.469 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.28 -41.71 89.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 74.230000000000004 110.91 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -88.05 1.9 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 51.420000000000002 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -1.89 11.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.862 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.756 ' O ' HB1A ' A' ' 8' ' ' MK8 . 2.5 tm-20 -107.13 -31.39 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 61.439999999999998 110.89 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.521 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.3 tp -87.57 -4.93 58.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 110.864 -2.88 . . . . 73.340000000000003 110.918 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.01 -18.5 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 110.906 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.616 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.63 -36.99 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 70.219999999999999 110.879 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.521 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.88 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 110.956 -2.838 . . . . 71.439999999999998 111.076 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -25.93 9.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 72.120000000000005 110.884 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.598 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.1 m -80.35 -32.79 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 61.020000000000003 111.17 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -14.96 58.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 60.509999999999998 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.6 t -81.68 -41.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 51.329999999999998 111.133 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -65.22 -35.66 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.129999999999995 110.924 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -85.04 -42.97 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.893 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 52.119999999999997 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 61.130000000000003 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.57 -55.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.130000000000003 110.844 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.9 27.62 4.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 65.239999999999995 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.25 -37.36 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 74.230000000000004 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -91.64 2.05 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 51.420000000000002 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.29 -3.55 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.745 ' O ' HB1A ' A' ' 8' ' ' MK8 . 4.8 tt0 -105.72 -31.17 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 61.439999999999998 110.883 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.543 ' CE ' ' HEA' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -4.82 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 110.885 -2.87 . . . . 73.340000000000003 110.942 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.1 -18.51 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.898 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.614 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.67 -37.03 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 70.219999999999999 110.888 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.543 ' HEA' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.776 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.39 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 110.888 -2.869 . . . . 71.439999999999998 111.099 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.03 -25.88 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.891 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.0 m -80.35 -32.87 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 61.020000000000003 111.123 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -14.95 58.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 60.509999999999998 110.85 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.8 t -81.68 -41.24 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 51.329999999999998 111.107 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -65.21 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.943 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -85.08 -42.96 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.049999999999997 110.876 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 52.119999999999997 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 61.130000000000003 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.130000000000003 110.849 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.31 45.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 65.239999999999995 112.496 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 mt -139.68 -42.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 74.230000000000004 110.946 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -91.01 2.04 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 51.420000000000002 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.83 -5.45 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.759 ' O ' HB1A ' A' ' 8' ' ' MK8 . 1.2 tm-20 -104.5 -30.74 9.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 61.439999999999998 110.852 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.459 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.44 -5.16 58.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 110.935 -2.848 . . . . 73.340000000000003 110.936 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.3 -16.73 5.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 64.430000000000007 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.54 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.2 OUTLIER -106.08 -36.34 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.219999999999999 110.872 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.459 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.93 -62.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 110.936 -2.847 . . . . 71.439999999999998 111.144 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -52.61 -24.08 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.621 ' HA ' HD12 ' A' ' 18' ' ' LEU . 59.6 m -82.14 -32.85 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 61.020000000000003 111.162 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -15.69 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 60.509999999999998 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.8 t -80.89 -41.97 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 51.329999999999998 111.155 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.62 -36.72 83.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.912 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -83.59 -44.99 14.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.879 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 52.119999999999997 110.939 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.347 . . . . 61.130000000000003 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.37 -62.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 110.835 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.56 -43.08 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 65.239999999999995 112.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -32.94 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 74.230000000000004 110.945 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.608 ' O ' HD12 ' A' ' 9' ' ' LEU . 37.0 m -97.29 4.23 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 51.420000000000002 110.832 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -16.86 11.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 74.129999999999995 110.87 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.754 ' O ' HB1A ' A' ' 8' ' ' MK8 . 1.1 tm-20 -93.29 -28.85 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 61.439999999999998 110.84 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.445 ' CE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -87.05 -5.4 59.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 110.942 -2.844 . . . . 73.340000000000003 110.89 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -125.97 -16.69 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 110.898 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -106.0 -36.35 6.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 70.219999999999999 110.849 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.445 ' CE ' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.3 -62.45 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 110.853 -2.885 . . . . 71.439999999999998 111.084 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -26.56 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.7 m -80.19 -32.51 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 61.020000000000003 111.129 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.5 tpp -79.33 -15.53 57.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 60.509999999999998 110.869 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.0 t -81.7 -41.36 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 51.329999999999998 111.145 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.91 -36.22 83.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 71.129999999999995 110.931 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.07 -39.8 17.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 73.049999999999997 110.832 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 52.119999999999997 110.893 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.1 m120 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.873 0.368 . . . . 61.130000000000003 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.76 -38.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.836 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.75 32.53 5.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.239999999999995 112.506 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -38.28 84.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 74.230000000000004 110.949 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 m -91.06 3.19 55.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 51.420000000000002 110.88 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -119.38 -2.09 10.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.129999999999995 110.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.75 ' O ' HB1A ' A' ' 8' ' ' MK8 . 13.4 pt-20 -108.4 -30.65 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 61.439999999999998 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.377 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -87.37 -7.14 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.942 -2.845 . . . . 73.340000000000003 110.922 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -126.99 -15.51 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 64.430000000000007 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.6 OUTLIER -106.09 -34.27 7.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.87 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.377 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -75.01 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 110.915 -2.857 . . . . 71.439999999999998 111.131 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.46 -28.1 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.961 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.645 ' HA ' HD12 ' A' ' 18' ' ' LEU . 64.7 m -78.98 -32.78 45.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 61.020000000000003 111.164 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.05 -15.36 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.509999999999998 110.852 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.9 t -82.0 -41.25 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 51.329999999999998 111.171 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.98 -36.06 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.129999999999995 110.954 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -85.12 -39.98 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 52.119999999999997 110.885 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.357 . . . . 61.130000000000003 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 62.130000000000003 110.854 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.01 54.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 65.239999999999995 112.475 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -40.68 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 74.230000000000004 110.915 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -89.4 2.81 53.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 51.420000000000002 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.69 -2.01 11.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.891 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.743 ' O ' HB1A ' A' ' 8' ' ' MK8 . 1.8 pp20? -107.54 -31.16 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 61.439999999999998 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.608 ' CE ' ' HEA' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.5 -4.89 58.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 110.895 -2.866 . . . . 73.340000000000003 110.927 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -125.92 -17.98 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 64.430000000000007 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.59 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.84 -36.89 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 70.219999999999999 110.909 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.608 ' HEA' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.33 -60.07 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.956 -2.838 . . . . 71.439999999999998 111.078 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -25.88 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 110.912 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.1 m -80.57 -32.72 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 61.020000000000003 111.134 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.3 -15.39 58.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 60.509999999999998 110.899 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.7 t -81.77 -41.44 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.329999999999998 111.166 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.64 -35.99 82.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.129999999999995 110.868 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -85.14 -40.0 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.049999999999997 110.838 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 52.119999999999997 110.914 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 61.130000000000003 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.1 -67.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 62.130000000000003 110.833 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.71 47.36 0.68 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 65.239999999999995 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 74.230000000000004 110.926 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -64.6 -42.76 95.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 51.420000000000002 110.858 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.06 -21.87 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.885 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.731 ' O ' HB1A ' A' ' 8' ' ' MK8 . 56.3 tt0 -82.02 -28.38 32.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 61.439999999999998 110.885 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 0.731 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.6 tp -87.13 -5.38 59.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 110.913 -2.858 . . . . 73.340000000000003 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -125.27 -16.99 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.0 OUTLIER -105.57 -35.51 7.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 70.219999999999999 110.85 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 0.561 HB1A ' HB ' ' A' ' 15' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.36 -63.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 110.928 -2.851 . . . . 71.439999999999998 111.12 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.65 -27.76 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.911 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.632 ' HA ' HD12 ' A' ' 18' ' ' LEU . 55.5 m -79.14 -32.81 44.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 61.020000000000003 111.136 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -15.25 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 60.509999999999998 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.3 t -81.8 -41.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 51.329999999999998 111.142 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -64.98 -35.63 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.908 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.99 -43.24 14.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.878 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 52.119999999999997 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 61.130000000000003 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -55.84 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.130000000000003 110.889 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.55 44.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 65.239999999999995 112.459 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.12 -35.22 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 74.230000000000004 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.618 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.2 t -95.21 3.93 54.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 51.420000000000002 110.842 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -116.07 -15.79 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.755 ' O ' HB1A ' A' ' 8' ' ' MK8 . 10.4 pt-20 -94.32 -29.49 15.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 61.439999999999998 110.871 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.526 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 5' ' ' SER . 0.8 OUTLIER -87.22 -4.89 59.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.914 -2.857 . . . . 73.340000000000003 110.888 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.68 -18.26 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 64.430000000000007 110.874 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.62 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.7 OUTLIER -105.58 -37.24 6.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 70.219999999999999 110.855 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.526 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.79 -59.92 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.075 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -25.77 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.634 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.2 m -80.61 -32.75 36.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 61.020000000000003 111.098 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.32 -15.34 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 60.509999999999998 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 13' ' ' ALA . 6.8 t -81.79 -41.4 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 51.329999999999998 111.157 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -63.68 -35.96 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.92 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -85.16 -40.04 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.049999999999997 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 52.119999999999997 110.944 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.859 0.362 . . . . 61.130000000000003 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.88 -51.88 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.130000000000003 110.854 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.44 48.97 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 65.239999999999995 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.74 -57.37 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 74.230000000000004 110.933 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 51.420000000000002 110.863 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.58 -21.98 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.876 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.738 ' O ' HB1A ' A' ' 8' ' ' MK8 . 3.3 tt0 -81.49 -28.44 34.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 61.439999999999998 110.855 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 0.738 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.99 -4.72 59.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.934 -2.848 . . . . 73.340000000000003 110.94 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.41 -17.4 5.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 64.430000000000007 110.939 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.3 OUTLIER -105.48 -35.49 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.885 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 0.572 HB1A ' HB ' ' A' ' 15' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.787 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.93 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 110.908 -2.86 . . . . 71.439999999999998 111.1 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.69 -27.67 12.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.921 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 18' ' ' LEU . 55.5 m -79.2 -32.76 44.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 61.020000000000003 111.175 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ttt -79.31 -15.21 58.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.509999999999998 110.895 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.3 t -81.77 -41.15 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 51.329999999999998 111.11 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -65.03 -35.53 81.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.129999999999995 110.933 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 73.049999999999997 110.856 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 52.119999999999997 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 61.130000000000003 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.03 -52.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 62.130000000000003 110.871 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.94 -57.4 0.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 65.239999999999995 112.485 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.68 -37.47 79.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 74.230000000000004 110.923 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -92.02 2.36 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 51.420000000000002 110.837 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -118.01 -3.6 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.825 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.739 ' O ' HB1A ' A' ' 8' ' ' MK8 . 23.5 pt-20 -106.62 -30.95 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 61.439999999999998 110.896 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 0.739 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -87.6 -6.44 58.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 110.917 -2.856 . . . . 73.340000000000003 110.934 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.55 -16.61 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.936 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.1 OUTLIER -105.65 -35.5 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 70.219999999999999 110.906 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 0.583 HB1A ' HB ' ' A' ' 15' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.58 -63.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 110.944 -2.844 . . . . 71.439999999999998 111.142 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.7 -27.62 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 110.922 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.655 ' HA ' HD12 ' A' ' 18' ' ' LEU . 58.5 m -79.39 -32.68 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 61.020000000000003 111.162 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.7 mtt -79.05 -15.48 58.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 60.509999999999998 110.876 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.3 t -81.94 -41.42 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 51.329999999999998 111.088 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.63 -35.86 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 71.129999999999995 110.864 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -85.13 -40.36 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 73.049999999999997 110.843 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HZ2' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.119999999999997 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.34 . . . . 61.130000000000003 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.427 ' OG ' HD23 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -103.6 -57.54 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.130000000000003 110.846 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.39 21.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.502 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.427 HD23 ' OG ' ' A' ' 2' ' ' SER . 4.4 mm? -87.47 -2.32 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 74.230000000000004 110.923 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -104.44 -41.44 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 51.420000000000002 110.837 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -17.07 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.129999999999995 110.852 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.753 ' O ' HB1A ' A' ' 8' ' ' MK8 . 0.6 OUTLIER -87.85 -28.08 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 61.439999999999998 110.884 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.44 ' HE ' ' CE ' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.64 -4.97 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 110.888 -2.869 . . . . 73.340000000000003 110.927 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.15 -16.7 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.430000000000007 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.529 ' O ' HB1A ' A' ' 12' ' ' MK8 . 1.0 OUTLIER -106.15 -36.35 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 70.219999999999999 110.904 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.44 ' CE ' ' HE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -72.51 -62.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 110.904 -2.862 . . . . 71.439999999999998 111.085 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.12 12.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 110.944 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.622 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.57 -32.76 42.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 61.020000000000003 111.144 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttt -79.39 -15.16 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 60.509999999999998 110.898 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.6 t -81.81 -41.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 51.329999999999998 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -65.02 -35.62 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.929 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -85.01 -43.2 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.874 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 52.119999999999997 110.87 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.4 p30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 61.130000000000003 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.81 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 62.130000000000003 110.844 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.86 25.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 65.239999999999995 112.491 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.26 -37.01 85.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 74.230000000000004 110.933 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -92.1 1.65 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 51.420000000000002 110.874 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.49 -4.51 11.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.129999999999995 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.738 ' O ' HB1A ' A' ' 8' ' ' MK8 . 31.2 tp10 -104.5 -31.26 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 61.439999999999998 110.891 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 0.738 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -87.99 -4.21 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 110.879 -2.873 . . . . 73.340000000000003 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -21.0 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 64.430000000000007 110.936 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.648 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.1 OUTLIER -105.41 -37.02 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.87 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 0.648 HB1A ' O ' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -74.06 -60.4 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 110.934 -2.848 . . . . 71.439999999999998 111.089 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.67 -26.79 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 110.953 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.665 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.0 m -79.67 -33.11 41.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 61.020000000000003 111.139 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ttt -78.91 -15.35 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 60.509999999999998 110.882 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 13' ' ' ALA . 7.5 t -81.89 -41.39 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.329999999999998 111.135 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -63.74 -35.89 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.927 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.13 -40.29 16.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 73.049999999999997 110.838 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 52.119999999999997 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 61.130000000000003 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.86 -49.76 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.130000000000003 110.822 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.22 51.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 65.239999999999995 112.453 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.42 -35.85 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.34 . . . . 74.230000000000004 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.94 -40.0 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 51.420000000000002 110.811 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.74 -16.47 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.835 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.723 ' O ' HB1A ' A' ' 8' ' ' MK8 . 22.4 tt0 -81.35 -31.07 33.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 61.439999999999998 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 1.419 ' CE ' ' HEA' ' A' ' 12' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 13.5 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.94 -2.846 . . . . 73.340000000000003 110.927 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -133.47 -31.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 64.430000000000007 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.572 ' O ' HB1A ' A' ' 12' ' ' MK8 . 9.7 mtt180 -103.6 -34.62 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 70.219999999999999 110.887 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 1.419 ' HEA' ' CE ' ' A' ' 8' ' ' MK8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -74.02 -59.47 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 110.924 -2.853 . . . . 71.439999999999998 111.115 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -23.58 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 72.120000000000005 110.94 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.629 ' HA ' HD12 ' A' ' 18' ' ' LEU . 54.0 m -82.2 -33.09 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 61.020000000000003 111.11 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -15.73 57.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 60.509999999999998 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' ALA . 8.0 t -80.81 -41.98 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 51.329999999999998 111.16 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.64 -36.75 83.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 71.129999999999995 110.874 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -83.55 -45.12 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 73.049999999999997 110.858 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 52.119999999999997 110.854 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 61.130000000000003 110.822 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -59.18 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 62.130000000000003 110.844 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.96 48.06 0.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 65.239999999999995 112.477 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -57.19 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 74.230000000000004 110.923 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -63.53 -43.28 97.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 51.420000000000002 110.855 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -68.91 -21.49 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 74.129999999999995 110.91 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.753 ' O ' HB1A ' A' ' 8' ' ' MK8 . 2.8 tt0 -81.86 -28.44 32.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 61.439999999999998 110.89 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MK8 . . . . . 0.753 HB1A ' O ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -86.85 -4.73 59.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 110.907 -2.861 . . . . 73.340000000000003 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.35 -16.24 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.430000000000007 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' HB1A ' A' ' 12' ' ' MK8 . 0.4 OUTLIER -106.2 -35.54 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 70.219999999999999 110.855 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MK8 . . . . . 0.53 HB1A ' O ' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -73.78 -62.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 110.929 -2.85 . . . . 71.439999999999998 111.117 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -27.26 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.915 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 18' ' ' LEU . 53.6 m -79.59 -32.75 41.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 61.020000000000003 111.099 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -79.21 -15.26 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 60.509999999999998 110.89 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 13' ' ' ALA . 9.2 t -81.89 -41.87 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 51.329999999999998 111.141 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -62.49 -36.38 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 71.129999999999995 110.914 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -83.99 -43.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 73.049999999999997 110.868 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 52.119999999999997 110.907 179.971 . . . . . . . . 1 1 . 1 stop_ save_