data_2rty_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 2rty _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.745 0.307 . . . . 75.32 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -63.67 -54.95 27.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 62.24 110.843 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.67 60.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.34 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -64.13 -46.7 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.49 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.081 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.73 -48.21 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.108 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -59.1 -21.91 59.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 m -86.69 -50.82 6.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -25.81 68.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.91 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.55 38.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 70.42 111.112 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.58 17.57 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 71.41 110.928 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.5 52.53 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.855 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.01 14.68 4.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.912 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.75 30.07 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.857 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.28 179.14 52.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 43.22 112.52 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.54 -146.85 4.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 72.23 112.443 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 161.22 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 74.11 110.923 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 72.13 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.837 0.351 . . . . 75.42 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -64.42 -58.32 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.841 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.096 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.3 m -63.52 -47.97 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.865 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.58 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.087 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.2 t -69.65 -48.27 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.151 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -59.08 -21.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.81 -50.84 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 63.54 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -25.76 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.936 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.58 38.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 53.43 111.121 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.62 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.943 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 63.46 52.53 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.906 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.02 14.71 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.888 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 51.71 30.06 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.8 52.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 75.43 112.54 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.19 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 75.25 112.488 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.79 161.73 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.21 110.857 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.871 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 71.34 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -66.7 -55.27 15.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 65.43 110.9 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -50.5 60.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 71.12 111.116 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.01 -47.0 82.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.833 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.48 62.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.111 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.75 -48.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.085 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.03 -21.95 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 65.43 110.871 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 m -86.66 -50.9 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 70.21 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -25.76 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.939 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.64 38.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 70.13 111.084 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.64 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 63.5 52.47 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.02 14.76 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.919 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.83 52.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 64.33 112.488 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.69 -146.7 4.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 61.11 112.526 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 166.58 30.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 74.22 110.874 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.6 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.793 0.33 . . . . 63.5 110.799 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -71.24 -55.55 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.833 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.29 -46.83 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.21 111.127 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 95.9 m -67.42 -46.45 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 72.24 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.45 -48.5 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 71.14 111.091 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.75 -48.27 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.05 111.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -21.84 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.79 -50.89 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 72.42 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -25.75 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.21 110.912 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.52 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.5 111.091 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.61 17.62 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.867 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 63.54 52.45 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.02 14.73 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 65.14 110.892 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 51.73 30.02 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.916 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.38 175.49 50.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 70.03 112.448 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.41 -150.37 5.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 72.13 112.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.47 161.68 41.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 75.43 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.872 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.4 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 74.32 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -56.37 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.854 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.51 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.22 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.47 -46.8 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.46 62.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.21 111.073 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.75 -48.28 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 75.01 111.081 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -59.07 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.895 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.0 m -86.73 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 74.03 110.875 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -25.82 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.919 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.11 -23.55 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.31 111.12 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.53 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.936 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 63.46 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -132.01 14.74 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.1 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.71 30.04 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.53 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 177.93 52.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 72.5 112.494 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.4 -150.32 5.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 71.41 112.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 159.54 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 74.31 110.847 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.341 . . . . 73.33 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -55.56 22.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.89 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.06 -51.27 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.3 111.102 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -63.06 -46.12 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.12 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.53 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 63.13 111.057 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.67 -48.29 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 74.03 111.138 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -59.08 -21.88 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.66 -50.96 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.13 110.889 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -25.74 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.04 110.961 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.58 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 65.14 111.066 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.55 17.58 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 73.12 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 63.51 52.52 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.837 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -132.04 14.74 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 51.73 30.06 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 178.94 52.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 71.02 112.462 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.41 -152.32 5.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 63.01 112.465 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 163.55 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 71.41 110.864 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.847 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 75.01 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -66.09 -58.66 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -42.84 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.083 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.01 -47.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.848 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.55 62.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.31 111.108 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.3 t -69.64 -48.36 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.118 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -58.99 -21.88 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.905 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 75.14 110.894 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -23.53 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 64.4 111.098 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.6 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 63.44 52.53 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.883 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -132.06 14.75 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.887 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt 51.81 30.02 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.859 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 -179.66 53.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 53.14 112.513 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.14 -151.05 5.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 72.14 112.476 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.74 163.37 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 73.14 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.86 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 74.2 110.823 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -65.3 -55.33 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.866 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.96 -50.71 60.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.53 111.097 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.95 -44.73 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.45 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.108 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.1 t -69.68 -48.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 74.41 111.125 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -59.08 -21.86 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 72.35 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 m -86.66 -50.91 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.919 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 75.51 110.881 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.55 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.083 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -93.58 17.6 11.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.5 52.48 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.06 14.77 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.873 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.03 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 175.89 50.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 75.24 112.517 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.3 -152.4 5.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 70.04 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 167.59 29.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 74.41 110.9 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 72.05 110.887 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.821 0.343 . . . . 75.53 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -52.41 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.892 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -50.09 62.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -66.22 -44.58 83.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.883 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.4 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.104 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.73 -48.19 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.12 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -59.19 -21.85 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 m -86.74 -50.82 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -25.8 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.958 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.68 38.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.5 111.143 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.54 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.932 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.844 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -131.93 14.67 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.04 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.73 30.05 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.21 178.94 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 45.45 112.476 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.77 -147.17 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 63.24 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 165.73 32.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.354 . . . . 74.54 110.91 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.876 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.801 0.334 . . . . 74.32 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -62.94 -51.84 65.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 71.35 110.822 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -49.48 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.14 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.9 m -66.35 -44.98 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 73.13 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.36 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 51.33 111.09 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.75 -48.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.11 111.118 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 m -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.34 110.923 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -25.78 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.962 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.85 38.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.32 111.101 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -93.63 17.72 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.01 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 71.25 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.94 14.61 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.845 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mttt 51.73 30.09 6.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.09 -179.69 53.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 65.41 112.508 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.55 -151.47 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 72.25 112.494 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.73 160.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 73.34 110.864 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.3 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 73.54 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -57.54 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 72.12 110.868 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.9 -45.03 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 62.04 111.104 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.93 -47.51 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 -48.36 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 72.2 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.77 -48.23 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 72.12 111.128 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -59.16 -21.84 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.917 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.78 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.073 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.58 17.68 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.1 110.91 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 63.55 52.5 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -131.95 14.65 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.86 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.2 -177.39 53.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 73.12 112.497 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.23 -151.36 5.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 71.03 112.507 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.84 161.99 36.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 75.44 110.891 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.756 0.313 . . . . 74.13 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -65.83 -57.46 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.14 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 64.44 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.5 m -68.64 -46.76 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.12 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.66 -48.29 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.1 111.152 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -21.86 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -25.81 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.91 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.52 38.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.66 17.61 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 63.53 52.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.827 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -132.07 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.82 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.01 6.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 75.05 110.909 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 179.39 52.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 70.33 112.462 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.13 -152.27 5.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 70.13 112.498 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 164.58 35.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 74.43 110.867 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.925 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 73.32 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -64.27 -56.95 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 62.45 110.848 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.39 49.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.21 111.1 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.98 -45.89 91.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.53 110.875 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.56 -48.35 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 70.52 111.063 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.77 -48.31 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 73.42 111.087 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -59.07 -21.88 59.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.885 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 54.44 110.845 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -25.84 68.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.913 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.62 38.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 71.42 111.113 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.6 17.6 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.917 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 63.53 52.5 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 72.24 110.873 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.04 14.72 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.864 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm 51.75 30.05 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 75.53 110.905 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.29 178.29 52.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 73.55 112.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.67 -150.34 5.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 61.33 112.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.71 169.17 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 74.1 110.878 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.747 0.308 . . . . 71.04 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -56.96 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -44.87 64.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 71.21 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.42 -47.23 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.852 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.53 -48.49 62.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 74.13 111.081 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.73 -48.26 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.43 111.151 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -59.03 -21.9 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.4 m -86.71 -50.93 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.884 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -25.87 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.892 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.58 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 63.41 111.111 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.59 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 70.44 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 63.56 52.49 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 70.43 110.833 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -132.02 14.63 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.83 29.97 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.885 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 -178.77 53.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 75.21 112.457 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.65 -150.47 5.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 73.41 112.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.87 164.08 33.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 75.35 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 70.11 110.907 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 74.34 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -68.32 -57.55 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 73.45 110.85 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.97 -48.0 64.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -65.44 -46.69 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.47 62.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 73.13 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.7 -48.26 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.133 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.877 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.3 m -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.918 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -25.78 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 75.34 110.951 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.57 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 75.35 111.131 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -93.49 17.54 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.957 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 63.56 52.43 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -131.99 14.69 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.876 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.75 29.98 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -178.84 53.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 64.11 112.467 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.64 -151.29 5.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 65.11 112.501 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.9 159.23 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 75.21 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.2 110.878 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 70.42 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -66.37 -57.92 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 70.25 110.867 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.87 -44.77 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.33 111.064 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.33 -46.43 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.882 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.47 -48.51 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 64.43 111.076 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.71 -48.22 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 75.14 111.158 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -59.12 -21.86 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 74.35 110.847 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.76 -50.94 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 73.01 110.922 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.63 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.102 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.63 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.924 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 63.48 52.54 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.86 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.06 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 75.04 110.929 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -175.88 53.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.503 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.34 -151.61 6.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 60.3 112.524 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.27 169.7 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 74.31 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.872 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.341 . . . . 75.12 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -57.5 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 52.55 110.888 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.01 -45.86 64.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 72.22 111.132 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.7 m -67.4 -46.23 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.52 62.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.75 -48.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.104 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -59.09 -21.84 59.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.76 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.75 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.906 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.56 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.12 111.107 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.58 17.6 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.9 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.51 52.48 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -132.05 14.73 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.832 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? 51.69 30.09 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 -175.59 53.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 74.0 112.497 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.22 -151.55 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 52.32 112.526 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.47 164.83 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 71.45 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.851 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m170 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.751 0.31 . . . . 65.32 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -65.2 -56.44 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.868 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.72 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 64.23 111.105 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.06 -45.46 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 74.02 111.092 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.63 -48.3 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 73.04 111.104 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -59.13 -21.85 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.814 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 m -86.78 -50.84 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 62.35 110.847 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -25.84 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.91 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.56 38.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.22 111.138 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.56 17.54 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.955 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 63.57 52.46 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 14.68 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.886 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.01 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.1 52.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 75.24 112.493 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.72 -152.56 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 71.43 112.501 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 161.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 75.12 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.836 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 m170 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.823 0.344 . . . . 72.51 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -71.19 -50.87 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 63.21 110.872 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.4 -48.66 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.41 111.177 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -66.81 -46.01 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.921 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.48 -48.5 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.12 111.098 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.73 -48.27 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 74.23 111.145 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -59.09 -21.88 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.71 -50.92 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.888 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -25.76 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.933 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.52 38.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 73.41 111.111 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.57 17.61 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.93 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 63.46 52.51 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.03 14.69 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.55 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.79 30.0 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.862 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.32 178.31 52.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 62.43 112.47 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.05 -147.72 4.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 73.2 112.454 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 161.42 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 73.31 110.883 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 63.51 110.831 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -55.15 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.825 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.03 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.3 111.085 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 90.7 m -68.91 -47.1 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.44 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.12 111.117 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.75 -48.22 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -21.88 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.94 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.871 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -25.78 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.892 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.6 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.51 17.53 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.9 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 63.48 52.56 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.841 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -132.02 14.75 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 75.22 110.899 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 51.71 30.03 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 177.35 51.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 35.41 112.51 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.59 -147.49 4.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 52.31 112.495 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 162.89 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 74.35 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 61.2 110.93 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.913 0.387 . . . . 72.21 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -170.98 114.2 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 70.01 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.62 93.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.41 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.58 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.868 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -62.04 -33.34 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.827 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -63.67 -54.95 27.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 62.24 110.843 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.67 60.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.34 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -64.13 -46.7 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.49 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.081 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.73 -48.21 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.108 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -59.1 -21.91 59.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 m -86.69 -50.82 6.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -25.81 68.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.91 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.55 38.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 70.42 111.112 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.58 17.57 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 71.41 110.928 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.5 52.53 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.855 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.01 14.68 4.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.912 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.75 30.07 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.857 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.28 179.14 52.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 43.22 112.52 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.54 -146.85 4.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 72.23 112.443 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 161.22 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 74.11 110.923 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 141.23 31.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 72.13 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -132.08 92.03 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.899 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.92 33.65 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 72.01 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.18 -33.51 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 60.34 112.48 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.2 109.23 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 64.03 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.97 98.79 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -89.55 135.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 74.12 111.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.8 m -114.69 121.26 42.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.878 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 74.33 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -153.46 26.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.826 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.898 ' CB ' ' SG ' ' A' ' 22' ' ' CYS . 6.7 t 54.88 87.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.32 101.03 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.873 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -70.52 -28.65 65.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -64.42 -58.32 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.841 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.096 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.312 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 76.3 m -63.52 -47.97 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.865 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.58 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.087 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.2 t -69.65 -48.27 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.151 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -59.08 -21.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.81 -50.84 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 63.54 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -25.76 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.936 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.58 38.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 53.43 111.121 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.62 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.943 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 63.46 52.53 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.906 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.02 14.71 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.888 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 51.71 30.06 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.8 52.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 75.43 112.54 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.19 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 75.25 112.488 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.79 161.73 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.21 110.857 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.898 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -82.45 135.27 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.871 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -117.42 85.58 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.885 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.15 39.88 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.32 -27.07 13.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 74.31 112.507 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -82.98 179.68 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 72.01 110.854 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.312 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -131.37 106.16 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.876 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -103.3 135.66 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.094 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -105.97 121.98 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.861 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.856 0.36 . . . . 74.23 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.87 129.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.21 110.872 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.6 99.85 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.84 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 71.54 110.865 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -71.36 -26.69 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.848 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -66.7 -55.27 15.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 65.43 110.9 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -50.5 60.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 71.12 111.116 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.01 -47.0 82.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.833 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.48 62.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.111 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.75 -48.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.085 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.03 -21.95 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 65.43 110.871 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 m -86.66 -50.9 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 70.21 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -25.76 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.939 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.64 38.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 70.13 111.084 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.64 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 63.5 52.47 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.02 14.76 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.919 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.83 52.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 64.33 112.488 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.69 -146.7 4.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 61.11 112.526 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 166.58 30.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 74.22 110.874 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -102.7 137.77 40.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.915 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -128.48 92.98 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 52.66 33.11 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -34.45 5.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 62.42 112.473 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.56 109.99 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.911 0.386 . . . . 75.55 110.856 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.6 t -80.31 99.14 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 55.33 110.81 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -88.92 137.09 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.01 111.156 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.4 m -115.9 121.41 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.856 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.371 . . . . 75.51 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -158.17 122.19 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.879 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 40.3 t -70.19 93.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 72.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.62 140.14 35.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -61.52 -26.7 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.799 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -71.24 -55.55 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.833 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.29 -46.83 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.21 111.127 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.368 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 95.9 m -67.42 -46.45 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 72.24 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.45 -48.5 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 71.14 111.091 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.75 -48.27 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.05 111.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -21.84 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.79 -50.89 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 72.42 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -25.75 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.21 110.912 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.52 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.5 111.091 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.61 17.62 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.867 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 63.54 52.45 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.02 14.73 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 65.14 110.892 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 51.73 30.02 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.916 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.38 175.49 50.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 70.03 112.448 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.41 -150.37 5.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 72.13 112.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.47 161.68 41.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 75.43 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.862 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -95.33 146.76 24.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.872 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -138.85 95.22 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.876 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 52.07 32.35 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.12 110.933 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.08 -35.43 4.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 62.12 112.506 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.08 110.76 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 64.31 110.848 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.368 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -80.07 98.98 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.24 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.5 t -86.3 142.98 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.111 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.7 m -122.68 122.25 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 72.24 110.86 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.905 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.836 0.35 . . . . 75.31 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.69 120.52 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 73.01 110.838 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.409 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 49.8 t -66.88 94.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.919 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.62 116.05 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.901 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -57.1 -28.37 62.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -56.37 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.854 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.51 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.22 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.371 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 13.5 t -64.47 -46.8 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.46 62.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.21 111.073 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.75 -48.28 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 75.01 111.081 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -59.07 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.895 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.0 m -86.73 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 74.03 110.875 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -25.82 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.919 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.11 -23.55 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.31 111.12 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.53 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.936 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 63.46 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -132.01 14.74 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.1 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.71 30.04 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.53 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 177.93 52.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 72.5 112.494 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.4 -150.32 5.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 71.41 112.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 159.54 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 74.31 110.847 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.409 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -101.37 94.1 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.843 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 101.43 13.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 74.22 110.857 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 m120 53.36 32.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.861 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.27 -32.17 7.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 63.53 112.456 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.18 114.64 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 62.43 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.371 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.4 t -80.08 91.66 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 74.22 110.907 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.26 131.5 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 74.54 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.66 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 74.41 110.874 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.863 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.863 0.363 . . . . 73.41 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -149.65 125.68 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.851 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.328 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 53.6 t -64.51 95.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 75.02 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 107.06 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.848 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -52.34 -30.04 26.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -55.56 22.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.89 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.06 -51.27 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.3 111.102 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.437 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 75.4 m -63.06 -46.12 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.12 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.53 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 63.13 111.057 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.67 -48.29 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 74.03 111.138 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -59.08 -21.88 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.66 -50.96 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.13 110.889 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -25.74 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.04 110.961 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.58 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 65.14 111.066 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.55 17.58 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 73.12 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 63.51 52.52 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.837 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -132.04 14.74 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 51.73 30.06 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 178.94 52.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 71.02 112.462 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.41 -152.32 5.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 63.01 112.465 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 163.55 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 71.41 110.864 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.328 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -103.36 104.79 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.847 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 99.11 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.908 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 55.89 28.39 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 75.33 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -29.08 10.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 63.02 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -74.01 117.73 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 75.33 110.837 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.437 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -80.19 95.52 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 62.31 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.7 t -95.58 137.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.51 111.15 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.9 m -108.8 122.34 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.935 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 74.24 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -145.58 27.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.827 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.438 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 14.5 t 53.37 71.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 50.44 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.11 96.85 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 70.43 110.913 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -58.68 -29.41 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.838 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -66.09 -58.66 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -42.84 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.083 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 5.2 t -69.01 -47.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.848 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.55 62.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.31 111.108 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.3 t -69.64 -48.36 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.118 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -58.99 -21.88 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.905 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 75.14 110.894 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -23.53 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 64.4 111.098 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.6 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 63.44 52.53 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.883 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -132.06 14.75 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.887 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt 51.81 30.02 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.859 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 -179.66 53.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 53.14 112.513 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.14 -151.05 5.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 72.14 112.476 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.74 163.37 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 73.14 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.438 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -87.86 130.68 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.86 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 87.16 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 74.34 110.918 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 52.02 47.91 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 70.14 110.928 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.16 -26.01 26.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 60.22 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -82.0 175.13 10.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 53.11 110.861 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.069 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.1 t -130.69 108.06 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.18 132.66 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.4 m -102.18 120.21 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.34 110.88 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.895 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.844 0.354 . . . . 74.12 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m 57.56 41.53 25.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.844 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t 57.05 61.06 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.884 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.36 106.05 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.878 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.16 -34.79 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -65.3 -55.33 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.866 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.96 -50.71 60.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.53 111.097 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.95 -44.73 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.45 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.108 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.1 t -69.68 -48.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 74.41 111.125 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -59.08 -21.86 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 72.35 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 m -86.66 -50.91 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.919 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 75.51 110.881 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.55 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.083 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -93.58 17.6 11.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.5 52.48 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.06 14.77 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.873 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.03 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 175.89 50.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 75.24 112.517 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.3 -152.4 5.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 70.04 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 167.59 29.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 74.41 110.9 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.01 139.38 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 72.05 110.887 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -118.65 82.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.913 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 52.15 41.72 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 70.43 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.2 -25.19 18.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 62.52 112.468 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.14 168.3 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 75.34 110.856 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.7 t -120.28 103.11 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.876 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.47 135.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.11 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.54 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.843 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.906 0.384 . . . . 72.54 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.62 135.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 62.32 110.881 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.208 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 21.4 p -102.88 27.8 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.907 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.69 96.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -54.57 -27.45 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.825 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -52.41 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.892 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -50.09 62.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -66.22 -44.58 83.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.883 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.4 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.104 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.73 -48.19 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.12 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -59.19 -21.85 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 m -86.74 -50.82 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -25.8 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.958 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.68 38.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.5 111.143 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.54 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.932 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.844 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -131.93 14.67 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.04 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.73 30.05 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.21 178.94 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 45.45 112.476 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.77 -147.17 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 63.24 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 165.73 32.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.354 . . . . 74.54 110.91 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.208 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 m -96.02 148.01 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -137.76 97.42 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.889 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 52.16 47.84 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.895 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.96 -28.33 10.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 41.11 112.512 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.06 161.65 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 62.35 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.2 t -121.83 99.52 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.918 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.62 137.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 74.33 111.101 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 m -115.39 122.21 45.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 65.11 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.42 110.896 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.8 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.868 0.366 . . . . 64.55 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -164.61 123.21 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 64.24 110.86 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 49.4 t -59.89 99.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 75.12 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.93 108.22 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.854 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -54.99 -35.74 64.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -62.94 -51.84 65.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 71.35 110.822 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -49.48 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.14 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 95.9 m -66.35 -44.98 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 73.13 110.854 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.36 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 51.33 111.09 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.75 -48.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.11 111.118 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 m -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.34 110.923 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -25.78 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.962 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.85 38.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.32 111.101 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -93.63 17.72 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.01 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 71.25 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.94 14.61 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.845 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mttt 51.73 30.09 6.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.09 -179.69 53.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 65.41 112.508 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.55 -151.47 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 72.25 112.494 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.73 160.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 73.34 110.864 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -92.5 138.04 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.3 110.902 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -131.32 91.61 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 56.26 28.69 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 74.32 110.89 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.41 -28.55 9.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 73.44 112.498 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -81.83 113.46 19.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 73.11 110.846 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -80.73 100.28 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 45.45 110.921 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.5 t -89.58 132.91 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.15 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 m -107.57 120.97 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 73.02 110.89 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.883 0.373 . . . . 72.01 110.865 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -159.16 38.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.33 110.861 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -80.03 59.91 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -76.04 95.93 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.5 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.66 -32.34 71.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.847 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -57.54 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 72.12 110.868 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.9 -45.03 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 62.04 111.104 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.384 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 63.6 m -66.93 -47.51 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 -48.36 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 72.2 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.77 -48.23 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 72.12 111.128 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -59.16 -21.84 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.917 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.78 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.073 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.58 17.68 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.1 110.91 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 63.55 52.5 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -131.95 14.65 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.86 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.2 -177.39 53.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 73.12 112.497 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.23 -151.36 5.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 71.03 112.507 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.84 161.99 36.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 75.44 110.891 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.42 142.7 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.872 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.23 86.65 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.909 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.42 39.03 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 75.34 110.874 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 -24.05 25.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 70.34 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -83.01 -179.57 7.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 75.1 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.384 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -133.38 104.89 6.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -102.81 134.58 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.24 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.7 m -102.92 120.58 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.845 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 74.13 110.84 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.889 0.376 . . . . 74.2 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -157.88 123.01 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 72.33 110.869 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.58 98.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 64.52 110.882 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -81.06 91.05 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 73.51 110.838 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -53.97 -28.29 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.836 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -65.83 -57.46 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.14 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 64.44 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 94.5 m -68.64 -46.76 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.869 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.12 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.66 -48.29 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.1 111.152 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -21.86 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -25.81 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.91 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.52 38.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.66 17.61 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 63.53 52.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.827 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -132.07 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.82 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.01 6.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 75.05 110.909 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 179.39 52.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 70.33 112.462 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.13 -152.27 5.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 70.13 112.498 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 164.58 35.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 74.43 110.867 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.21 139.5 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -128.52 96.24 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 52.12 36.93 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 61.52 110.855 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -28.24 15.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 55.25 112.5 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.19 177.33 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 75.44 110.824 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -129.83 104.77 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.869 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.65 135.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 75.23 111.145 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.37 121.71 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 72.51 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.891 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.891 0.377 . . . . 72.53 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.85 129.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.833 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 54.0 t -62.22 96.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.924 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.81 125.36 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -56.91 -29.03 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.908 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -64.27 -56.95 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 62.45 110.848 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.39 49.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.21 111.1 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.98 -45.89 91.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.53 110.875 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.56 -48.35 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 70.52 111.063 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.77 -48.31 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 73.42 111.087 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -59.07 -21.88 59.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.885 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 54.44 110.845 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.42 -25.84 68.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.913 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.62 38.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 71.42 111.113 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.6 17.6 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.917 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 63.53 52.5 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 72.24 110.873 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.04 14.72 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.864 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm 51.75 30.05 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 75.53 110.905 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.29 178.29 52.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 73.55 112.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.67 -150.34 5.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 61.33 112.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.71 169.17 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 74.1 110.878 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -95.69 150.97 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.868 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 96.39 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 52.18 40.83 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 74.22 110.874 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.71 -31.94 8.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 75.31 112.499 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.62 169.6 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 74.13 110.85 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -127.9 98.01 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.874 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -91.39 137.56 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 m -114.82 120.93 41.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 72.51 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.858 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 75.31 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 27.34 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 64.21 110.908 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 3.9 t 53.33 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.35 110.865 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.83 98.05 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.861 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -59.35 -27.47 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 71.04 110.875 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -56.96 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -44.87 64.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 71.21 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.348 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 85.9 m -67.42 -47.23 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.852 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.53 -48.49 62.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 74.13 111.081 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.73 -48.26 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.43 111.151 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -59.03 -21.9 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.4 m -86.71 -50.93 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.884 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -25.87 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.892 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.58 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 63.41 111.111 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.59 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 70.44 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 63.56 52.49 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 70.43 110.833 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -132.02 14.63 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.83 29.97 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.885 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 -178.77 53.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 75.21 112.457 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.65 -150.47 5.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 73.41 112.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.87 164.08 33.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 75.35 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -80.34 147.79 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 70.11 110.907 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -131.5 84.56 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 52.52 42.96 31.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 74.43 110.892 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -27.01 20.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 74.32 112.476 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.23 176.02 9.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 73.34 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.348 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.4 m -127.54 109.99 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.893 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.03 139.77 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 74.31 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.9 m -110.5 123.46 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.862 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.87 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.867 0.365 . . . . 73.32 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.69 124.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 54.01 110.888 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 10.9 t -63.61 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 63.3 110.899 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.36 112.97 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.845 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -60.68 -28.18 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.832 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -68.32 -57.55 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 73.45 110.85 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.97 -48.0 64.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -65.44 -46.69 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.47 62.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 73.13 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.7 -48.26 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.133 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.877 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.3 m -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.918 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -25.78 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 75.34 110.951 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.57 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 75.35 111.131 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -93.49 17.54 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.957 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 63.56 52.43 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -131.99 14.69 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.876 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.75 29.98 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -178.84 53.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 64.11 112.467 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.64 -151.29 5.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 65.11 112.501 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.9 159.23 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 75.21 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 1.2 m -91.61 133.91 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.2 110.878 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -129.96 93.23 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.88 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 52.51 36.38 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.5 -30.69 9.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 71.22 112.477 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.73 109.15 16.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 72.21 110.906 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 3.9 m -80.36 100.38 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.873 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.3 t -86.14 132.76 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.145 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.45 120.58 42.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 75.11 110.884 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.882 0.373 . . . . 75.34 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.96 110.75 2.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 62.02 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.917 ' CB ' ' SG ' ' A' ' 22' ' ' CYS . 24.4 t -64.62 93.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 75.32 110.881 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -80.48 101.16 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -59.3 -26.42 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 70.42 110.854 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -66.37 -57.92 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 70.25 110.867 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.87 -44.77 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.33 111.064 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.32 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 4.5 t -68.33 -46.43 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.882 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.47 -48.51 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 64.43 111.076 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.71 -48.22 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 75.14 111.158 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -59.12 -21.86 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 74.35 110.847 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.76 -50.94 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 73.01 110.922 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.63 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.102 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.63 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.924 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 63.48 52.54 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.86 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.06 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 75.04 110.929 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -175.88 53.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.503 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.34 -151.61 6.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 60.3 112.524 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.27 169.7 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 74.31 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.917 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -85.71 151.64 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.872 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.39 90.42 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.902 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.6 m120 52.05 35.81 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.907 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -21.87 29.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 75.45 112.51 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -85.24 174.52 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 64.41 110.88 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.32 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.7 t -123.78 110.9 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 75.24 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.22 138.21 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.54 111.098 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.0 m -108.74 122.69 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 72.02 110.851 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 74.52 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.807 0.337 . . . . 74.32 110.925 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -99.0 31.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.13 110.85 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t 52.55 87.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.31 99.9 12.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.843 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -63.41 -30.02 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.825 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -57.5 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 52.55 110.888 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.01 -45.86 64.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 72.22 111.132 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 87.7 m -67.4 -46.23 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.897 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.52 62.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.75 -48.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.104 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -59.09 -21.84 59.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.76 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -25.75 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.906 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.56 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.12 111.107 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.58 17.6 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.9 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.51 52.48 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -132.05 14.73 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.832 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? 51.69 30.09 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 -175.59 53.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 74.0 112.497 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.22 -151.55 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 52.32 112.526 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.47 164.83 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 71.45 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 142.48 32.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.851 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -127.61 89.02 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.894 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 52.11 40.95 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.51 110.879 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.7 -27.35 19.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 72.23 112.434 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -82.17 178.4 8.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 72.54 110.873 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -129.34 108.97 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.876 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.0 t -105.14 137.51 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.115 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.9 m -105.45 121.94 44.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.888 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.888 0.375 . . . . 75.44 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.68 128.21 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 75.4 110.873 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.272 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 40.4 t -57.68 99.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 71.31 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 119.22 21.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 64.02 110.849 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -58.51 -27.41 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 65.32 110.851 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -65.2 -56.44 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.868 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.72 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 64.23 111.105 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 8.9 t -64.06 -45.46 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 74.02 111.092 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.63 -48.3 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 73.04 111.104 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -59.13 -21.85 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.814 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 m -86.78 -50.84 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 62.35 110.847 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -25.84 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.91 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.56 38.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.22 111.138 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.56 17.54 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.955 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 63.57 52.46 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 14.68 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.886 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.01 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.1 52.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 75.24 112.493 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.72 -152.56 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 71.43 112.501 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 161.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 75.12 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.272 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 m -82.29 150.81 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.836 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -138.06 96.17 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.47 42.22 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 71.32 110.924 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.49 -30.38 10.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 52.15 112.47 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -76.47 175.62 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 72.33 110.873 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 40.4 t -130.83 99.72 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 74.2 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.59 134.86 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.174 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.01 119.56 39.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.88 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.851 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 74.53 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -117.12 40.24 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.874 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t 53.62 87.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.842 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 129.46 41.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.867 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -74.98 -27.69 60.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.845 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -71.19 -50.87 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 63.21 110.872 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.4 -48.66 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.41 111.177 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -66.81 -46.01 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.921 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.48 -48.5 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.12 111.098 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.73 -48.27 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 74.23 111.145 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -59.09 -21.88 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.71 -50.92 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.888 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -25.76 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.933 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.52 38.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 73.41 111.111 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.57 17.61 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.93 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 63.46 52.51 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.03 14.69 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.55 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.79 30.0 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.862 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.32 178.31 52.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 62.43 112.47 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.05 -147.72 4.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 73.2 112.454 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 161.42 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 73.31 110.883 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.04 144.49 27.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 90.7 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 72.14 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.07 39.62 26.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 52.42 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 -32.04 7.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 70.42 112.477 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -75.52 109.38 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 70.15 110.835 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.07 100.8 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.862 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.63 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 73.4 111.134 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.9 m -126.64 122.31 34.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.55 110.851 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.87 0.367 . . . . 74.55 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -164.14 125.02 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.13 110.867 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 50.6 t -77.88 84.72 4.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.902 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.05 127.06 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.867 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.49 -32.29 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.51 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -55.15 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.825 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.03 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.3 111.085 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 90.7 m -68.91 -47.1 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.44 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.12 111.117 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.75 -48.22 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -21.88 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.94 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.871 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -25.78 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.892 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.6 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.51 17.53 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.9 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 63.48 52.56 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.841 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -132.02 14.75 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 75.22 110.899 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 51.71 30.03 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 177.35 51.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 35.41 112.51 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.59 -147.49 4.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 52.31 112.495 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 162.89 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 74.35 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -96.89 141.28 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 61.2 110.93 179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.31 94.54 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 52.8 31.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.32 -34.63 5.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 63.22 112.458 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.14 110.98 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 73.23 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -80.86 99.28 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.913 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.73 143.91 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.164 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.53 123.21 41.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.888 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.851 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.745 0.307 . . . . 73.310000000000002 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -63.67 -54.95 27.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 55.109999999999999 110.843 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.67 60.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 62.450000000000003 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -64.13 -46.7 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.49 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 111.081 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 60.9 t -69.73 -48.21 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 72.530000000000001 111.108 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -59.1 -21.91 59.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 m -86.69 -50.82 6.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.129999999999995 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.53 -25.81 68.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.91 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.55 38.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 60.439999999999998 111.112 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.58 17.57 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 64.5 110.928 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.5 52.53 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.855 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.01 14.68 4.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.912 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.75 30.07 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 61.310000000000002 110.857 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.28 179.14 52.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 43.219999999999999 112.52 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.54 -146.85 4.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.443 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 161.22 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 64.230000000000004 110.923 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 72.129999999999995 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.837 0.351 . . . . 75.420000000000002 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -64.42 -58.32 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 110.841 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 54.130000000000003 111.096 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.3 m -63.52 -47.97 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.439999999999998 110.865 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.58 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.219999999999999 111.087 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.609 ' HA ' HD23 ' A' ' 13' ' ' LEU . 82.2 t -69.65 -48.27 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.040000000000006 111.151 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -59.08 -21.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 52.119999999999997 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.81 -50.84 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 63.539999999999999 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.5 -25.76 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.450000000000003 110.936 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.58 38.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 51.210000000000001 111.121 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.62 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 110.943 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 63.46 52.53 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.349999999999994 110.906 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.02 14.71 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 63.210000000000001 110.888 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 51.71 30.06 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 70.230000000000004 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.8 52.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 44.409999999999997 112.54 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.19 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 60.409999999999997 112.488 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.79 161.73 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 110.857 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 54.039999999999999 110.871 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 m80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 62.149999999999999 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -66.7 -55.27 15.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 65.430000000000007 110.9 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -50.5 60.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 45.119999999999997 111.116 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.01 -47.0 82.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 72.329999999999998 110.833 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.48 62.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 111.111 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 13' ' ' LEU . 58.7 t -69.75 -48.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.019999999999996 111.085 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.03 -21.95 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 53.530000000000001 110.871 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 m -86.66 -50.9 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 61.009999999999998 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.46 -25.76 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.540000000000006 110.939 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.64 38.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 44.32 111.084 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.64 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 63.5 52.47 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 53.240000000000002 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.02 14.76 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.919 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.83 52.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 64.329999999999998 112.488 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.69 -146.7 4.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 61.109999999999999 112.526 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 166.58 30.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 64.129999999999995 110.874 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.209999999999994 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.6 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.793 0.33 . . . . 63.409999999999997 110.799 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -71.24 -55.55 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.833 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.29 -46.83 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 71.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 95.9 m -67.42 -46.45 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 53.240000000000002 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.45 -48.5 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 61.420000000000002 111.091 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.6 ' HA ' HD23 ' A' ' 13' ' ' LEU . 64.4 t -69.75 -48.27 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.530000000000001 111.137 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -21.84 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.79 -50.89 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 63.219999999999999 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.5 -25.75 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 71.230000000000004 110.912 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.52 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.5 111.091 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.61 17.62 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.400000000000006 110.867 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 63.54 52.45 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 62.420000000000002 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.02 14.73 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 62.340000000000003 110.892 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 51.73 30.02 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.916 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.38 175.49 50.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.030000000000001 112.448 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.41 -150.37 5.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 72.129999999999995 112.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.47 161.68 41.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 73.329999999999998 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.872 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 74.230000000000004 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -56.37 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 43.420000000000002 110.854 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.51 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.219999999999999 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.47 -46.8 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 44.420000000000002 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.46 62.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 72.549999999999997 111.073 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 13' ' ' LEU . 60.3 t -69.75 -48.28 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 111.081 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -59.07 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.895 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.0 m -86.73 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 73.25 110.875 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.82 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.109999999999999 110.919 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.11 -23.55 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.310000000000002 111.12 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.53 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.310000000000002 110.936 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 63.46 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.209999999999994 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -132.01 14.74 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.71 30.04 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.039999999999999 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 177.93 52.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 62.409999999999997 112.494 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.4 -150.32 5.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 71.409999999999997 112.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 159.54 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 74.310000000000002 110.847 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 62.399999999999999 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.341 . . . . 73.329999999999998 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -55.56 22.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 53.100000000000001 110.89 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.06 -51.27 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.299999999999997 111.102 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -63.06 -46.12 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.120000000000005 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.53 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 54.140000000000001 111.057 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.8 t -69.67 -48.29 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.109999999999999 111.138 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -59.08 -21.88 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.66 -50.96 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 44.219999999999999 110.889 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.74 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.25 110.961 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.58 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 65.140000000000001 111.066 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.55 17.58 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 71.209999999999994 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 63.51 52.52 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.200000000000003 110.837 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -132.04 14.74 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 51.73 30.06 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 178.94 52.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 43.200000000000003 112.462 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.41 -152.32 5.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 44.310000000000002 112.465 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 163.55 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 71.409999999999997 110.864 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.420000000000002 110.847 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 75.010000000000005 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -66.09 -58.66 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 74.519999999999996 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -42.84 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 111.083 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.01 -47.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.329999999999998 110.848 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.55 62.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 111.108 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 13' ' ' LEU . 51.3 t -69.64 -48.36 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.129999999999995 111.118 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -58.99 -21.88 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.010000000000005 110.905 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.44 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 75.140000000000001 110.894 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -23.53 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 44.25 111.098 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.6 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.530000000000001 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 63.44 52.53 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.530000000000001 110.883 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -132.06 14.75 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 72.010000000000005 110.887 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt 51.81 30.02 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.239999999999995 110.859 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 -179.66 53.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 53.140000000000001 112.513 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.14 -151.05 5.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 71.349999999999994 112.476 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.74 163.37 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 72.109999999999999 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 52.43 110.86 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 74.200000000000003 110.823 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 10' ' ' VAL . 17.1 m -65.3 -55.33 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 61.210000000000001 110.866 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.96 -50.71 60.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 33.549999999999997 111.097 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.95 -44.73 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 62.240000000000002 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.45 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.120000000000005 111.108 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' A' ' 13' ' ' LEU . 39.1 t -69.68 -48.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 111.125 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -59.08 -21.86 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.430000000000007 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 m -86.66 -50.91 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.919 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 42.420000000000002 110.881 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.55 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 32.509999999999998 111.083 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -93.58 17.6 11.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.5 52.48 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.06 14.77 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.140000000000001 110.873 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.03 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.319999999999993 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 175.89 50.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 64.030000000000001 112.517 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.3 -152.4 5.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 70.040000000000006 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 167.59 29.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 73.510000000000005 110.9 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 55.32 110.887 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 m80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.821 0.343 . . . . 75.530000000000001 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -52.41 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 44.329999999999998 110.892 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -50.09 62.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -66.22 -44.58 83.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.010000000000005 110.883 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.4 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.230000000000004 111.104 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 13' ' ' LEU . 57.4 t -69.73 -48.19 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.120000000000005 111.146 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -59.19 -21.85 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 m -86.74 -50.82 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.52 -25.8 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.239999999999995 110.958 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.68 38.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.5 111.143 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.54 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.400000000000006 110.932 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 53.240000000000002 110.844 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -131.93 14.67 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.040000000000006 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.73 30.05 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.099999999999994 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.21 178.94 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 45.450000000000003 112.476 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.77 -147.17 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 63.240000000000002 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 165.73 32.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.354 . . . . 70.420000000000002 110.91 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.876 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.801 0.334 . . . . 73.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -62.94 -51.84 65.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 54.520000000000003 110.822 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -49.48 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.010000000000005 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.9 m -66.35 -44.98 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 62.43 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.36 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 42.100000000000001 111.09 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 13' ' ' LEU . 73.4 t -69.75 -48.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.109999999999999 111.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 m -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.340000000000003 110.923 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.47 -25.78 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.239999999999995 110.962 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.85 38.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 111.101 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -93.63 17.72 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 64.109999999999999 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.94 14.61 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.845 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mttt 51.73 30.09 6.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.894 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.09 -179.69 53.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 65.409999999999997 112.508 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.55 -151.47 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 22.34 112.494 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.73 160.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 73.340000000000003 110.864 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.299999999999997 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 73.219999999999999 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -57.54 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 60.420000000000002 110.868 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.9 -45.03 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 51.350000000000001 111.104 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.93 -47.51 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 -48.36 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 55.329999999999998 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 13' ' ' LEU . 61.7 t -69.77 -48.23 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 64.040000000000006 111.128 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -59.16 -21.84 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 72.219999999999999 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.43 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 64.340000000000003 110.917 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.78 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.439999999999998 111.073 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.58 17.68 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.099999999999994 110.91 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 63.55 52.5 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -131.95 14.65 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 70.420000000000002 110.86 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.409999999999997 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.2 -177.39 53.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 61.210000000000001 112.497 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.23 -151.36 5.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 71.030000000000001 112.507 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.84 161.99 36.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 75.439999999999998 110.891 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.756 0.313 . . . . 74.129999999999995 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -65.83 -57.46 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.209999999999994 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.14 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 63.240000000000002 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.5 m -68.64 -46.76 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.120000000000005 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 60.509999999999998 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 13' ' ' LEU . 47.1 t -69.66 -48.29 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 54.030000000000001 111.152 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -21.86 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.38 -25.81 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 110.91 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.52 38.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.66 17.61 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 63.53 52.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 61.32 110.827 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -132.07 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.82 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.01 6.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 75.049999999999997 110.909 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 179.39 52.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 70.329999999999998 112.462 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.13 -152.27 5.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 70.129999999999995 112.498 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 164.58 35.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 62.530000000000001 110.867 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.099999999999994 110.925 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 62.200000000000003 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -64.27 -56.95 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 52.240000000000002 110.848 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.39 49.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 111.1 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.98 -45.89 91.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 34.329999999999998 110.875 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.56 -48.35 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 70.519999999999996 111.063 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 69.5 t -69.77 -48.31 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 44.520000000000003 111.087 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -59.07 -21.88 59.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.349999999999994 110.885 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 54.439999999999998 110.845 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.84 68.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.913 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.62 38.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 60.210000000000001 111.113 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.6 17.6 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.349999999999994 110.917 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 63.53 52.5 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.873 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.04 14.72 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.519999999999996 110.864 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm 51.75 30.05 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.209999999999994 110.905 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.29 178.29 52.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 73.549999999999997 112.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.67 -150.34 5.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 52.439999999999998 112.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.71 169.17 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 74.099999999999994 110.878 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.747 0.308 . . . . 65.310000000000002 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -56.96 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 75.329999999999998 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -44.87 64.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 63.25 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.42 -47.23 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 71.129999999999995 110.852 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.53 -48.49 62.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 74.129999999999995 111.081 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 47.5 t -69.73 -48.26 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 60.229999999999997 111.151 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -59.03 -21.9 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.4 m -86.71 -50.93 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.884 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.41 -25.87 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.430000000000007 110.892 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.58 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 61.200000000000003 111.111 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.59 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.149999999999999 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 63.56 52.49 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 54.130000000000003 110.833 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -132.02 14.63 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.83 29.97 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.885 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 -178.77 53.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 72.239999999999995 112.457 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.65 -150.47 5.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 72.209999999999994 112.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.87 164.08 33.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 72.540000000000006 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.907 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 64.019999999999996 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -68.32 -57.55 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 73.450000000000003 110.85 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.97 -48.0 64.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 70.030000000000001 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -65.44 -46.69 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.239999999999995 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.47 62.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 73.129999999999995 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.4 t -69.7 -48.26 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 70.310000000000002 111.133 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 74.219999999999999 110.877 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.3 m -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 110.918 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.44 -25.78 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 64.120000000000005 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.57 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 71.430000000000007 111.131 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -93.49 17.54 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.957 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 63.56 52.43 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.88 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -131.99 14.69 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.876 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.75 29.98 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.230000000000004 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -178.84 53.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 52.420000000000002 112.467 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.64 -151.29 5.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 34.039999999999999 112.501 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.9 159.23 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 75.209999999999994 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.200000000000003 110.878 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 64.530000000000001 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -66.37 -57.92 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 54.43 110.867 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.87 -44.77 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 62.140000000000001 111.064 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.33 -46.43 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 110.882 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.47 -48.51 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 61.25 111.076 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.597 ' HA ' HD23 ' A' ' 13' ' ' LEU . 78.8 t -69.71 -48.22 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 54.100000000000001 111.158 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -59.12 -21.86 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 110.847 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.76 -50.94 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.450000000000003 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 42.5 110.922 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.63 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 111.102 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.63 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 72.140000000000001 110.924 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 63.48 52.54 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 65.319999999999993 110.86 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.06 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.929 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -175.88 53.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 74.409999999999997 112.503 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.34 -151.61 6.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 60.299999999999997 112.524 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.27 169.7 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 73.019999999999996 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 54.409999999999997 110.872 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.3 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.341 . . . . 75.120000000000005 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -57.5 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 52.549999999999997 110.888 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.01 -45.86 64.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 61.439999999999998 111.132 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.7 m -67.4 -46.23 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.420000000000002 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.52 62.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.120000000000005 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 13' ' ' LEU . 42.6 t -69.75 -48.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.104 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -59.09 -21.84 59.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.420000000000002 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.76 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.48 -25.75 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.230000000000004 110.906 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.56 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 111.107 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.58 17.6 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.9 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.51 52.48 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -132.05 14.73 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 53.310000000000002 110.832 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? 51.69 30.09 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 54.439999999999998 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 -175.59 53.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 74.0 112.497 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.22 -151.55 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 52.32 112.526 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.47 164.83 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 64.400000000000006 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 64.430000000000007 110.851 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m170 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.751 0.31 . . . . 64.400000000000006 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -65.2 -56.44 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 60.030000000000001 110.868 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.72 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.009999999999998 111.105 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.06 -45.46 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 54.329999999999998 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 55.109999999999999 111.092 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 58.4 t -69.63 -48.3 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 73.040000000000006 111.104 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -59.13 -21.85 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 70.340000000000003 110.814 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 m -86.78 -50.84 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 61.43 110.847 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.84 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.91 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.56 38.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.420000000000002 111.138 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.56 17.54 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.955 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 63.57 52.46 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 60.509999999999998 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 14.68 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 110.886 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.01 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.1 52.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 42.299999999999997 112.493 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.72 -152.56 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 63.420000000000002 112.501 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 161.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 75.120000000000005 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 110.836 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.823 0.344 . . . . 72.510000000000005 110.845 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -71.19 -50.87 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 63.210000000000001 110.872 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.4 -48.66 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.409999999999997 111.177 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -66.81 -46.01 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.239999999999995 110.921 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.48 -48.5 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.119999999999997 111.098 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 85.2 t -69.73 -48.27 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 73.049999999999997 111.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -59.09 -21.88 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.010000000000005 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.71 -50.92 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 110.888 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.76 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 110.933 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.52 38.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 73.409999999999997 111.111 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.57 17.61 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.93 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 63.46 52.51 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.409999999999997 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.03 14.69 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.549999999999997 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.79 30.0 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 110.862 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.32 178.31 52.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 62.43 112.47 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.05 -147.72 4.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 73.200000000000003 112.454 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 161.42 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 73.310000000000002 110.883 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.230000000000004 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 63.509999999999998 110.831 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -55.15 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 55.439999999999998 110.825 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.03 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.299999999999997 111.085 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.7 m -68.91 -47.1 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.209999999999994 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.44 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.120000000000005 111.117 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.597 ' HA ' HD23 ' A' ' 13' ' ' LEU . 43.7 t -69.75 -48.22 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.340000000000003 111.152 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -21.88 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 65.409999999999997 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.94 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.239999999999995 110.871 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.78 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.892 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.6 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 61.140000000000001 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.51 17.53 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.9 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 63.48 52.56 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.450000000000003 110.841 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -132.02 14.75 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.899 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 51.71 30.03 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 177.35 51.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 32.200000000000003 112.51 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.59 -147.49 4.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 52.310000000000002 112.495 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 162.89 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 72.430000000000007 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 110.93 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.913 0.387 . . . . 72.209999999999994 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -170.98 114.2 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 64.310000000000002 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.62 93.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.409999999999997 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.58 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 71.019999999999996 110.868 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -62.04 -33.34 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.827 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -63.67 -54.95 27.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 55.109999999999999 110.843 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.67 60.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 62.450000000000003 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -64.13 -46.7 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.49 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 111.081 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 60.9 t -69.73 -48.21 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 72.530000000000001 111.108 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -59.1 -21.91 59.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 m -86.69 -50.82 6.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.129999999999995 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.53 -25.81 68.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.91 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.55 38.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 60.439999999999998 111.112 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.58 17.57 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 64.5 110.928 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.5 52.53 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.855 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.01 14.68 4.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.912 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.75 30.07 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 61.310000000000002 110.857 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.28 179.14 52.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 43.219999999999999 112.52 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.54 -146.85 4.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.443 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 161.22 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 64.230000000000004 110.923 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 141.23 31.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 72.129999999999995 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -132.08 92.03 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 75.329999999999998 110.899 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.92 33.65 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 72.010000000000005 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.18 -33.51 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 53.409999999999997 112.48 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.2 109.23 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 62.119999999999997 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.97 98.79 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.239999999999995 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -89.55 135.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.8 m -114.69 121.26 42.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 70.030000000000001 110.878 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 74.329999999999998 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -153.46 26.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 110.826 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.898 ' CB ' ' SG ' ' A' ' 22' ' ' CYS . 6.7 t 54.88 87.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.32 101.03 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.109999999999999 110.873 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -70.52 -28.65 65.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 75.420000000000002 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -64.42 -58.32 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 110.841 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 54.130000000000003 111.096 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 76.3 m -63.52 -47.97 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.439999999999998 110.865 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.58 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.219999999999999 111.087 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.609 ' HA ' HD23 ' A' ' 13' ' ' LEU . 82.2 t -69.65 -48.27 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.040000000000006 111.151 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -59.08 -21.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 52.119999999999997 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.81 -50.84 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 63.539999999999999 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.5 -25.76 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.450000000000003 110.936 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.58 38.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 51.210000000000001 111.121 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.62 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 110.943 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 63.46 52.53 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.349999999999994 110.906 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.02 14.71 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 63.210000000000001 110.888 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 51.71 30.06 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 70.230000000000004 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.8 52.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 44.409999999999997 112.54 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.19 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 60.409999999999997 112.488 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.79 161.73 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 110.857 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.898 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -82.45 135.27 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 54.039999999999999 110.871 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -117.42 85.58 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 70.150000000000006 110.885 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.15 39.88 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.120000000000005 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.32 -27.07 13.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 63.210000000000001 112.507 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -82.98 179.68 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 72.010000000000005 110.854 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -131.37 106.16 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 72.400000000000006 110.876 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -103.3 135.66 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 111.094 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -105.97 121.98 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.861 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 73.109999999999999 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.856 0.36 . . . . 74.230000000000004 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.87 129.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.209999999999994 110.872 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.6 99.85 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 44.240000000000002 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.84 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 63.399999999999999 110.865 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -71.36 -26.69 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 62.149999999999999 110.848 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -66.7 -55.27 15.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 65.430000000000007 110.9 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -50.5 60.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 45.119999999999997 111.116 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.01 -47.0 82.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 72.329999999999998 110.833 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.48 62.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 111.111 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 13' ' ' LEU . 58.7 t -69.75 -48.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.019999999999996 111.085 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.03 -21.95 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 53.530000000000001 110.871 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 m -86.66 -50.9 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 61.009999999999998 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.46 -25.76 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.540000000000006 110.939 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.64 38.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 44.32 111.084 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.64 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 63.5 52.47 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 53.240000000000002 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.02 14.76 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.919 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.83 52.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 64.329999999999998 112.488 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.69 -146.7 4.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 61.109999999999999 112.526 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 166.58 30.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 64.129999999999995 110.874 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -102.7 137.77 40.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.209999999999994 110.915 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -128.48 92.98 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 72.420000000000002 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 52.66 33.11 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -34.45 5.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 21.34 112.473 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.56 109.99 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.911 0.386 . . . . 63.119999999999997 110.856 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.6 t -80.31 99.14 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 55.329999999999998 110.81 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -88.92 137.09 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.32 111.156 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.4 m -115.9 121.41 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.856 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.371 . . . . 74.439999999999998 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -158.17 122.19 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.879 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 40.3 t -70.19 93.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 72.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.62 140.14 35.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 62.409999999999997 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -61.52 -26.7 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 63.409999999999997 110.799 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -71.24 -55.55 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.833 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.29 -46.83 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 71.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.368 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 95.9 m -67.42 -46.45 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 53.240000000000002 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.45 -48.5 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 61.420000000000002 111.091 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.6 ' HA ' HD23 ' A' ' 13' ' ' LEU . 64.4 t -69.75 -48.27 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.530000000000001 111.137 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -21.84 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.79 -50.89 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 63.219999999999999 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.5 -25.75 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 71.230000000000004 110.912 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.52 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.5 111.091 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.61 17.62 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.400000000000006 110.867 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 63.54 52.45 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 62.420000000000002 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.02 14.73 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 62.340000000000003 110.892 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 51.73 30.02 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.916 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.38 175.49 50.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.030000000000001 112.448 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.41 -150.37 5.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 72.129999999999995 112.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.47 161.68 41.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 73.329999999999998 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -95.33 146.76 24.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.872 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -138.85 95.22 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 71.510000000000005 110.876 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 52.07 32.35 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.120000000000005 110.933 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.08 -35.43 4.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 62.119999999999997 112.506 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.08 110.76 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 63.409999999999997 110.848 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.368 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -80.07 98.98 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.240000000000002 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.5 t -86.3 142.98 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 111.111 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.7 m -122.68 122.25 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.86 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 74.040000000000006 110.905 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.836 0.35 . . . . 75.310000000000002 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.69 120.52 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 73.010000000000005 110.838 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 49.8 t -66.88 94.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 63.219999999999999 110.919 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.62 116.05 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 110.901 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -57.1 -28.37 62.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -56.37 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 43.420000000000002 110.854 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.51 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.219999999999999 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 13.5 t -64.47 -46.8 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 44.420000000000002 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.46 62.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 72.549999999999997 111.073 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 13' ' ' LEU . 60.3 t -69.75 -48.28 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 111.081 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -59.07 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.895 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.0 m -86.73 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 73.25 110.875 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.82 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.109999999999999 110.919 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.11 -23.55 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.310000000000002 111.12 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.53 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.310000000000002 110.936 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 63.46 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.209999999999994 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -132.01 14.74 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.71 30.04 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.039999999999999 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 177.93 52.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 62.409999999999997 112.494 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.4 -150.32 5.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 71.409999999999997 112.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 159.54 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 74.310000000000002 110.847 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -101.37 94.1 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 62.399999999999999 110.843 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 101.43 13.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 43.329999999999998 110.857 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 m120 53.36 32.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.519999999999996 110.861 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.27 -32.17 7.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 63.32 112.456 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.18 114.64 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 62.43 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.4 t -80.08 91.66 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 74.219999999999999 110.907 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.26 131.5 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 65.510000000000005 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.66 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.874 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 73.409999999999997 110.863 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.863 0.363 . . . . 72.030000000000001 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -149.65 125.68 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.430000000000007 110.851 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.328 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 53.6 t -64.51 95.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 75.019999999999996 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 107.06 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 73.209999999999994 110.848 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -52.34 -30.04 26.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -55.56 22.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 53.100000000000001 110.89 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.06 -51.27 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.299999999999997 111.102 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.323 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 75.4 m -63.06 -46.12 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.120000000000005 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.53 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 54.140000000000001 111.057 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.8 t -69.67 -48.29 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.109999999999999 111.138 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -59.08 -21.88 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.66 -50.96 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 44.219999999999999 110.889 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.74 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.25 110.961 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.58 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 65.140000000000001 111.066 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.55 17.58 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 71.209999999999994 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 63.51 52.52 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.200000000000003 110.837 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -132.04 14.74 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 51.73 30.06 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 178.94 52.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 43.200000000000003 112.462 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.41 -152.32 5.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 44.310000000000002 112.465 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 163.55 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 71.409999999999997 110.864 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.328 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -103.36 104.79 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.420000000000002 110.847 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 99.11 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 110.908 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 55.89 28.39 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 72.010000000000005 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -29.08 10.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 63.020000000000003 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -74.01 117.73 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 75.329999999999998 110.837 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.323 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -80.19 95.52 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 43.32 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.7 t -95.58 137.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 111.15 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.9 m -108.8 122.34 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.319999999999993 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.519999999999996 110.935 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 74.239999999999995 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -145.58 27.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.827 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.438 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 14.5 t 53.37 71.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 50.439999999999998 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.11 96.85 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 70.430000000000007 110.913 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -58.68 -29.41 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.010000000000005 110.838 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -66.09 -58.66 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 74.519999999999996 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -42.84 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 111.083 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.05 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 5.2 t -69.01 -47.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.329999999999998 110.848 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.55 62.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 111.108 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 13' ' ' LEU . 51.3 t -69.64 -48.36 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.129999999999995 111.118 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -58.99 -21.88 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.010000000000005 110.905 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.44 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 75.140000000000001 110.894 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -23.53 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 44.25 111.098 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.6 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.530000000000001 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 63.44 52.53 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.530000000000001 110.883 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -132.06 14.75 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 72.010000000000005 110.887 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt 51.81 30.02 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.239999999999995 110.859 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 -179.66 53.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 53.140000000000001 112.513 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.14 -151.05 5.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 71.349999999999994 112.476 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.74 163.37 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 72.109999999999999 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.438 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -87.86 130.68 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 52.43 110.86 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 87.16 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 74.340000000000003 110.918 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 52.02 47.91 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 64.129999999999995 110.928 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.16 -26.01 26.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 60.219999999999999 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -82.0 175.13 10.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 53.109999999999999 110.861 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.05 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.1 t -130.69 108.06 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.18 132.66 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 64.329999999999998 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.4 m -102.18 120.21 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.340000000000003 110.88 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.895 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.844 0.354 . . . . 74.120000000000005 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m 57.56 41.53 25.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.844 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t 57.05 61.06 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 60.520000000000003 110.884 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.36 106.05 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.878 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.16 -34.79 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 10' ' ' VAL . 17.1 m -65.3 -55.33 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 61.210000000000001 110.866 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.96 -50.71 60.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 33.549999999999997 111.097 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.95 -44.73 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 62.240000000000002 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.45 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.120000000000005 111.108 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' A' ' 13' ' ' LEU . 39.1 t -69.68 -48.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 111.125 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -59.08 -21.86 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.430000000000007 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 m -86.66 -50.91 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.919 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 42.420000000000002 110.881 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.55 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 32.509999999999998 111.083 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -93.58 17.6 11.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.5 52.48 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.06 14.77 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.140000000000001 110.873 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.03 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.319999999999993 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 175.89 50.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 64.030000000000001 112.517 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.3 -152.4 5.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 70.040000000000006 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 167.59 29.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 73.510000000000005 110.9 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.01 139.38 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 55.32 110.887 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -118.65 82.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.030000000000001 110.913 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.5 m120 52.15 41.72 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 70.430000000000007 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.2 -25.19 18.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 62.520000000000003 112.468 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.14 168.3 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 65.120000000000005 110.856 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.7 t -120.28 103.11 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 61.229999999999997 110.876 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.47 135.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 60.340000000000003 111.11 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.54 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.409999999999997 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 54.43 110.843 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.906 0.384 . . . . 62.340000000000003 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.62 135.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 62.32 110.881 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 21.4 p -102.88 27.8 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 73.120000000000005 110.907 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.69 96.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -54.57 -27.45 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 75.530000000000001 110.825 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -52.41 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 44.329999999999998 110.892 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -50.09 62.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -66.22 -44.58 83.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.010000000000005 110.883 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.4 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.230000000000004 111.104 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 13' ' ' LEU . 57.4 t -69.73 -48.19 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.120000000000005 111.146 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -59.19 -21.85 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 m -86.74 -50.82 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.52 -25.8 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.239999999999995 110.958 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.68 38.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.5 111.143 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.54 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.400000000000006 110.932 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 53.240000000000002 110.844 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -131.93 14.67 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.040000000000006 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.73 30.05 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.099999999999994 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.21 178.94 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 45.450000000000003 112.476 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.77 -147.17 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 63.240000000000002 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 165.73 32.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.354 . . . . 70.420000000000002 110.91 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 m -96.02 148.01 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -137.76 97.42 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 64.519999999999996 110.889 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m120 52.16 47.84 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.329999999999998 110.895 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.96 -28.33 10.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 25.43 112.512 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.06 161.65 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 62.350000000000001 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.2 t -121.83 99.52 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.918 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.62 137.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.099999999999994 111.101 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 m -115.39 122.21 45.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 65.109999999999999 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.420000000000002 110.896 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.8 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.868 0.366 . . . . 64.549999999999997 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -164.61 123.21 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 64.239999999999995 110.86 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 49.4 t -59.89 99.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 75.120000000000005 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.93 108.22 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 110.854 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -54.99 -35.74 64.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 73.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -62.94 -51.84 65.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 54.520000000000003 110.822 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -49.48 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.010000000000005 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 95.9 m -66.35 -44.98 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 62.43 110.854 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.36 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 42.100000000000001 111.09 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 13' ' ' LEU . 73.4 t -69.75 -48.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.109999999999999 111.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 m -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.340000000000003 110.923 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.47 -25.78 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.239999999999995 110.962 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.85 38.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 111.101 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -93.63 17.72 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 64.109999999999999 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.94 14.61 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.845 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mttt 51.73 30.09 6.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.894 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.09 -179.69 53.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 65.409999999999997 112.508 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.55 -151.47 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 22.34 112.494 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.73 160.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 73.340000000000003 110.864 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -92.5 138.04 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.299999999999997 110.902 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -131.32 91.61 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 56.26 28.69 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 63.219999999999999 110.89 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.41 -28.55 9.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 73.439999999999998 112.498 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -81.83 113.46 19.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 63.229999999999997 110.846 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -80.73 100.28 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 42.420000000000002 110.921 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.5 t -89.58 132.91 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 54.340000000000003 111.15 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 m -107.57 120.97 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 51.109999999999999 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 73.019999999999996 110.89 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.883 0.373 . . . . 72.010000000000005 110.865 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -159.16 38.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.329999999999998 110.861 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -80.03 59.91 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 64.140000000000001 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -76.04 95.93 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.5 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.66 -32.34 71.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.219999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -57.54 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 60.420000000000002 110.868 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.9 -45.03 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 51.350000000000001 111.104 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.384 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 63.6 m -66.93 -47.51 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 -48.36 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 55.329999999999998 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 13' ' ' LEU . 61.7 t -69.77 -48.23 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 64.040000000000006 111.128 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -59.16 -21.84 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 72.219999999999999 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.43 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 64.340000000000003 110.917 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.78 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.439999999999998 111.073 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.58 17.68 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.099999999999994 110.91 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 63.55 52.5 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -131.95 14.65 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 70.420000000000002 110.86 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.409999999999997 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.2 -177.39 53.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 61.210000000000001 112.497 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.23 -151.36 5.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 71.030000000000001 112.507 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.84 161.99 36.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 75.439999999999998 110.891 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.42 142.7 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.872 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.23 86.65 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.219999999999999 110.909 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.42 39.03 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 72.329999999999998 110.874 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 -24.05 25.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 70.340000000000003 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -83.01 -179.57 7.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 75.099999999999994 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.384 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -133.38 104.89 6.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 64.25 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -102.81 134.58 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.239999999999995 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.7 m -102.92 120.58 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.845 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 74.129999999999995 110.84 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.889 0.376 . . . . 65.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -157.88 123.01 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 61.240000000000002 110.869 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.58 98.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 64.519999999999996 110.882 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -81.06 91.05 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 73.239999999999995 110.838 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -53.97 -28.29 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.836 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -65.83 -57.46 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.209999999999994 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.14 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 63.240000000000002 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.102 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 94.5 m -68.64 -46.76 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.120000000000005 110.869 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 60.509999999999998 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 13' ' ' LEU . 47.1 t -69.66 -48.29 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 54.030000000000001 111.152 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -21.86 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.38 -25.81 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 110.91 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.52 38.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.66 17.61 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 63.53 52.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 61.32 110.827 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -132.07 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.82 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.01 6.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 75.049999999999997 110.909 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 179.39 52.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 70.329999999999998 112.462 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.13 -152.27 5.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 70.129999999999995 112.498 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 164.58 35.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 62.530000000000001 110.867 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.21 139.5 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.099999999999994 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -128.52 96.24 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.310000000000002 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 52.12 36.93 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 51.350000000000001 110.855 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -28.24 15.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 55.25 112.5 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.19 177.33 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 75.439999999999998 110.824 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.102 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -129.83 104.77 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 110.869 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.65 135.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 75.230000000000004 111.145 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.37 121.71 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 72.510000000000005 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.25 110.891 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.891 0.377 . . . . 72.530000000000001 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.85 129.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 62.520000000000003 110.833 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 54.0 t -62.22 96.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 61.210000000000001 110.924 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.81 125.36 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 50.350000000000001 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -56.91 -29.03 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 62.200000000000003 110.908 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -64.27 -56.95 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 52.240000000000002 110.848 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.39 49.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 111.1 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.98 -45.89 91.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 34.329999999999998 110.875 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.56 -48.35 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 70.519999999999996 111.063 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 69.5 t -69.77 -48.31 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 44.520000000000003 111.087 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -59.07 -21.88 59.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.349999999999994 110.885 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 54.439999999999998 110.845 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.84 68.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.913 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.62 38.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 60.210000000000001 111.113 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.6 17.6 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.349999999999994 110.917 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 63.53 52.5 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.873 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.04 14.72 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.519999999999996 110.864 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm 51.75 30.05 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.209999999999994 110.905 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.29 178.29 52.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 73.549999999999997 112.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.67 -150.34 5.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 52.439999999999998 112.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.71 169.17 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 74.099999999999994 110.878 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -95.69 150.97 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.868 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 96.39 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 52.18 40.83 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 71.540000000000006 110.874 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.71 -31.94 8.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 75.310000000000002 112.499 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.62 169.6 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 74.129999999999995 110.85 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -127.9 98.01 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.019999999999996 110.874 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -91.39 137.56 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 61.439999999999998 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 m -114.82 120.93 41.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 54.140000000000001 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 72.420000000000002 110.858 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 73.109999999999999 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 27.34 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 60.350000000000001 110.908 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 3.9 t 53.33 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.349999999999994 110.865 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.83 98.05 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.329999999999998 110.861 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -59.35 -27.47 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 65.310000000000002 110.875 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -56.96 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 75.329999999999998 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -44.87 64.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 63.25 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.339 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 85.9 m -67.42 -47.23 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 71.129999999999995 110.852 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.53 -48.49 62.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 74.129999999999995 111.081 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 47.5 t -69.73 -48.26 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 60.229999999999997 111.151 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -59.03 -21.9 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.4 m -86.71 -50.93 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.884 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.41 -25.87 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.430000000000007 110.892 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.58 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 61.200000000000003 111.111 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.59 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.149999999999999 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 63.56 52.49 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 54.130000000000003 110.833 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -132.02 14.63 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.83 29.97 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.885 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 -178.77 53.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 72.239999999999995 112.457 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.65 -150.47 5.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 72.209999999999994 112.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.87 164.08 33.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 72.540000000000006 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -80.34 147.79 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.907 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -131.5 84.56 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 64.319999999999993 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 52.52 42.96 31.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 74.409999999999997 110.892 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -27.01 20.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 72.439999999999998 112.476 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.23 176.02 9.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 73.340000000000003 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.339 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.4 m -127.54 109.99 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.893 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.03 139.77 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 65.340000000000003 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.9 m -110.5 123.46 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 54.299999999999997 110.862 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 75.329999999999998 110.87 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.867 0.365 . . . . 73.319999999999993 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.69 124.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 42.549999999999997 110.888 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 10.9 t -63.61 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 50.149999999999999 110.899 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.36 112.97 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.845 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -60.68 -28.18 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 64.019999999999996 110.832 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -68.32 -57.55 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 73.450000000000003 110.85 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.97 -48.0 64.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 70.030000000000001 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -65.44 -46.69 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.239999999999995 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.47 62.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 73.129999999999995 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.4 t -69.7 -48.26 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 70.310000000000002 111.133 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 74.219999999999999 110.877 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.3 m -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 110.918 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.44 -25.78 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 64.120000000000005 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.57 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 71.430000000000007 111.131 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -93.49 17.54 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.957 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 63.56 52.43 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.88 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -131.99 14.69 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.876 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.75 29.98 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.230000000000004 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -178.84 53.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 52.420000000000002 112.467 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.64 -151.29 5.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 34.039999999999999 112.501 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.9 159.23 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 75.209999999999994 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 1.2 m -91.61 133.91 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.200000000000003 110.878 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -129.96 93.23 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 53.450000000000003 110.88 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 52.51 36.38 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 72.310000000000002 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.5 -30.69 9.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 71.219999999999999 112.477 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.73 109.15 16.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 72.209999999999994 110.906 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 3.9 m -80.36 100.38 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 110.873 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.3 t -86.14 132.76 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.140000000000001 111.145 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.45 120.58 42.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 75.109999999999999 110.884 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.882 0.373 . . . . 75.340000000000003 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.96 110.75 2.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 33.350000000000001 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.917 ' CB ' ' SG ' ' A' ' 22' ' ' CYS . 24.4 t -64.62 93.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 65.420000000000002 110.881 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -80.48 101.16 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -59.3 -26.42 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 64.530000000000001 110.854 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -66.37 -57.92 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 54.43 110.867 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.87 -44.77 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 62.140000000000001 111.064 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 4.5 t -68.33 -46.43 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 110.882 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.47 -48.51 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 61.25 111.076 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.597 ' HA ' HD23 ' A' ' 13' ' ' LEU . 78.8 t -69.71 -48.22 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 54.100000000000001 111.158 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -59.12 -21.86 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 110.847 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.76 -50.94 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.450000000000003 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 42.5 110.922 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.63 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 111.102 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.63 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 72.140000000000001 110.924 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 63.48 52.54 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 65.319999999999993 110.86 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.06 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.929 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -175.88 53.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 74.409999999999997 112.503 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.34 -151.61 6.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 60.299999999999997 112.524 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.27 169.7 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 73.019999999999996 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.917 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -85.71 151.64 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 54.409999999999997 110.872 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.39 90.42 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 64.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.6 m120 52.05 35.81 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 110.907 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -21.87 29.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 75.450000000000003 112.51 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -85.24 174.52 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 64.409999999999997 110.88 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.7 t -123.78 110.9 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 65.510000000000005 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.22 138.21 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 60.409999999999997 111.098 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.0 m -108.74 122.69 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 72.019999999999996 110.851 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 72.420000000000002 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.807 0.337 . . . . 71.010000000000005 110.925 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -99.0 31.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 51.329999999999998 110.85 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t 52.55 87.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 63.009999999999998 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.31 99.9 12.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.540000000000006 110.843 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.41 -30.02 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 75.120000000000005 110.825 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -57.5 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 52.549999999999997 110.888 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.01 -45.86 64.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 61.439999999999998 111.132 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.119 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 87.7 m -67.4 -46.23 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.420000000000002 110.897 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.52 62.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.120000000000005 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 13' ' ' LEU . 42.6 t -69.75 -48.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.104 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -59.09 -21.84 59.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.420000000000002 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.76 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.48 -25.75 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.230000000000004 110.906 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.56 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 111.107 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.58 17.6 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.9 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.51 52.48 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -132.05 14.73 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 53.310000000000002 110.832 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? 51.69 30.09 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 54.439999999999998 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 -175.59 53.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 74.0 112.497 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.22 -151.55 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 52.32 112.526 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.47 164.83 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 64.400000000000006 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 142.48 32.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 64.430000000000007 110.851 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -127.61 89.02 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.239999999999995 110.894 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 m120 52.11 40.95 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.509999999999998 110.879 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.7 -27.35 19.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 71.340000000000003 112.434 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -82.17 178.4 8.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 72.540000000000006 110.873 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.119 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -129.34 108.97 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.876 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.0 t -105.14 137.51 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 71.439999999999998 111.115 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.9 m -105.45 121.94 44.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.129999999999995 110.888 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.888 0.375 . . . . 75.439999999999998 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.68 128.21 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 75.400000000000006 110.873 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 40.4 t -57.68 99.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 64.530000000000001 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 119.22 21.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 53.340000000000003 110.849 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -58.51 -27.41 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.400000000000006 110.851 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -65.2 -56.44 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 60.030000000000001 110.868 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.72 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.009999999999998 111.105 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.264 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 8.9 t -64.06 -45.46 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 54.329999999999998 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 55.109999999999999 111.092 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 58.4 t -69.63 -48.3 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 73.040000000000006 111.104 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -59.13 -21.85 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 70.340000000000003 110.814 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 m -86.78 -50.84 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 61.43 110.847 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.84 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.91 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.56 38.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.420000000000002 111.138 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.56 17.54 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.955 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 63.57 52.46 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 60.509999999999998 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 14.68 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 110.886 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.01 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.1 52.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 42.299999999999997 112.493 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.72 -152.56 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 63.420000000000002 112.501 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 161.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 75.120000000000005 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 m -82.29 150.81 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 110.836 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -138.06 96.17 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.47 42.22 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 71.319999999999993 110.924 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.49 -30.38 10.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 52.149999999999999 112.47 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -76.47 175.62 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 72.329999999999998 110.873 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.264 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 40.4 t -130.83 99.72 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 63.530000000000001 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.59 134.86 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.230000000000004 111.174 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.01 119.56 39.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.88 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.200000000000003 110.851 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 74.530000000000001 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -117.12 40.24 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 74.420000000000002 110.874 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t 53.62 87.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 110.842 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 129.46 41.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.100000000000001 110.867 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.98 -27.69 60.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 72.510000000000005 110.845 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -71.19 -50.87 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 63.210000000000001 110.872 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.4 -48.66 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.409999999999997 111.177 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -66.81 -46.01 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.239999999999995 110.921 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.48 -48.5 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.119999999999997 111.098 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 85.2 t -69.73 -48.27 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 73.049999999999997 111.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -59.09 -21.88 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.010000000000005 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.71 -50.92 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 110.888 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.76 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 110.933 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.52 38.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 73.409999999999997 111.111 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.57 17.61 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.93 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 63.46 52.51 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.409999999999997 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.03 14.69 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.549999999999997 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.79 30.0 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 110.862 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.32 178.31 52.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 62.43 112.47 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.05 -147.72 4.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 73.200000000000003 112.454 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 161.42 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 73.310000000000002 110.883 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.04 144.49 27.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.230000000000004 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 90.7 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 71.219999999999999 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.07 39.62 26.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 52.420000000000002 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 -32.04 7.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 70.420000000000002 112.477 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -75.52 109.38 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 70.150000000000006 110.835 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.07 100.8 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.862 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.63 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 72.510000000000005 111.134 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.9 m -126.64 122.31 34.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 64.430000000000007 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 110.851 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.87 0.367 . . . . 74.549999999999997 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -164.14 125.02 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.129999999999995 110.867 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 50.6 t -77.88 84.72 4.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.902 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.05 127.06 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 60.509999999999998 110.867 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.49 -32.29 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.509999999999998 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -55.15 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 55.439999999999998 110.825 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.03 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.299999999999997 111.085 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 90.7 m -68.91 -47.1 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.209999999999994 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.44 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.120000000000005 111.117 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.597 ' HA ' HD23 ' A' ' 13' ' ' LEU . 43.7 t -69.75 -48.22 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.340000000000003 111.152 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -21.88 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 65.409999999999997 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.94 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.239999999999995 110.871 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.78 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.892 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.6 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 61.140000000000001 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.51 17.53 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.9 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 63.48 52.56 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.450000000000003 110.841 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -132.02 14.75 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.899 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 51.71 30.03 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 177.35 51.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 32.200000000000003 112.51 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.59 -147.49 4.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 52.310000000000002 112.495 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 162.89 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 72.430000000000007 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -96.89 141.28 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 110.93 179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.31 94.54 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 52.8 31.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 72.310000000000002 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.32 -34.63 5.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 50.210000000000001 112.458 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.14 110.98 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 73.230000000000004 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -80.86 99.28 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 110.913 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.73 143.91 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.140000000000001 111.164 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.53 123.21 41.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.219999999999999 110.888 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.851 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.745 0.307 . . . . 73.31 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -63.67 -54.95 27.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 55.11 110.843 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.67 60.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 62.45 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -64.13 -46.7 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.49 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.081 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 60.9 t -69.73 -48.21 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 72.53 111.108 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -59.1 -21.91 59.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 m -86.69 -50.82 6.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.53 -25.81 68.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.91 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.55 38.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 60.44 111.112 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.58 17.57 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 64.5 110.928 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.5 52.53 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.855 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.01 14.68 4.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.912 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.75 30.07 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 61.31 110.857 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.28 179.14 52.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 43.22 112.52 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.54 -146.85 4.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 72.23 112.443 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 161.22 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 64.23 110.923 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 72.13 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.837 0.351 . . . . 75.42 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -64.42 -58.32 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.841 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 54.13 111.096 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.3 m -63.52 -47.97 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.865 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.58 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.22 111.087 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.609 ' HA ' HD23 ' A' ' 13' ' ' LEU . 82.2 t -69.65 -48.27 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.151 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -59.08 -21.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 52.12 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.81 -50.84 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 63.54 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.5 -25.76 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.936 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.58 38.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 51.21 111.121 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.62 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.943 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 63.46 52.53 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.906 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.02 14.71 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.888 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 51.71 30.06 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 70.23 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.8 52.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 44.41 112.54 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.19 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 60.41 112.488 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.79 161.73 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.21 110.857 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 54.04 110.871 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 62.15 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -66.7 -55.27 15.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 65.43 110.9 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -50.5 60.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 45.12 111.116 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.01 -47.0 82.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 72.33 110.833 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.48 62.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.111 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 13' ' ' LEU . 58.7 t -69.75 -48.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.085 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.03 -21.95 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 53.53 110.871 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 m -86.66 -50.9 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 61.01 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.46 -25.76 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.54 110.939 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.64 38.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 44.32 111.084 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.64 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 63.5 52.47 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 53.24 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.02 14.76 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.919 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.83 52.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 64.33 112.488 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.69 -146.7 4.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 61.11 112.526 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 166.58 30.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 64.13 110.874 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.6 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.793 0.33 . . . . 63.41 110.799 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -71.24 -55.55 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.833 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.29 -46.83 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 71.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 95.9 m -67.42 -46.45 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 53.24 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.45 -48.5 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 61.42 111.091 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.6 ' HA ' HD23 ' A' ' 13' ' ' LEU . 64.4 t -69.75 -48.27 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.53 111.137 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -21.84 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.79 -50.89 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 63.22 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.5 -25.75 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.912 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.52 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.5 111.091 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.61 17.62 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.867 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 63.54 52.45 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 62.42 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.02 14.73 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 62.34 110.892 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 51.73 30.02 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.916 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.38 175.49 50.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.03 112.448 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.41 -150.37 5.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 72.13 112.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.47 161.68 41.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 73.33 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.872 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.4 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 74.23 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -56.37 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 43.42 110.854 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.51 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.22 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.5 t -64.47 -46.8 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 44.42 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.46 62.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 72.55 111.073 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 13' ' ' LEU . 60.3 t -69.75 -48.28 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.081 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -59.07 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.895 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.0 m -86.73 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 73.25 110.875 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.82 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.919 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.11 -23.55 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.31 111.12 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.53 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.936 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 63.46 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -132.01 14.74 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.1 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.71 30.04 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.04 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 177.93 52.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 62.41 112.494 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.4 -150.32 5.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 71.41 112.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 159.54 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 74.31 110.847 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 62.4 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.341 . . . . 73.33 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -55.56 22.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 53.1 110.89 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.06 -51.27 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.3 111.102 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -63.06 -46.12 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.12 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.53 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 54.14 111.057 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.8 t -69.67 -48.29 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.11 111.138 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -59.08 -21.88 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.66 -50.96 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 44.22 110.889 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.74 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.25 110.961 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.58 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 65.14 111.066 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.55 17.58 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 71.21 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 63.51 52.52 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.837 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -132.04 14.74 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 51.73 30.06 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 178.94 52.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 43.2 112.462 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.41 -152.32 5.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 44.31 112.465 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 163.55 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 71.41 110.864 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.847 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 75.01 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -66.09 -58.66 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -42.84 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.083 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.01 -47.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.848 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.55 62.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.31 111.108 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 13' ' ' LEU . 51.3 t -69.64 -48.36 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.118 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -58.99 -21.88 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.905 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.44 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 75.14 110.894 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -23.53 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 44.25 111.098 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.6 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 63.44 52.53 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.883 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -132.06 14.75 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 72.01 110.887 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt 51.81 30.02 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.859 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 -179.66 53.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 53.14 112.513 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.14 -151.05 5.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 71.35 112.476 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.74 163.37 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 72.11 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 52.43 110.86 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 74.2 110.823 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 10' ' ' VAL . 17.1 m -65.3 -55.33 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 61.21 110.866 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.96 -50.71 60.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 33.55 111.097 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.95 -44.73 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 62.24 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.45 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.12 111.108 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' A' ' 13' ' ' LEU . 39.1 t -69.68 -48.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 74.41 111.125 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -59.08 -21.86 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 m -86.66 -50.91 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.919 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 42.42 110.881 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.55 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 32.51 111.083 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -93.58 17.6 11.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.5 52.48 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.06 14.77 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.873 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.03 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 175.89 50.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 64.03 112.517 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.3 -152.4 5.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 70.04 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 167.59 29.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 73.51 110.9 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 55.32 110.887 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.821 0.343 . . . . 75.53 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -52.41 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 44.33 110.892 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -50.09 62.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -66.22 -44.58 83.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.883 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.4 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.23 111.104 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 13' ' ' LEU . 57.4 t -69.73 -48.19 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.12 111.146 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -59.19 -21.85 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 m -86.74 -50.82 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.52 -25.8 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.958 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.68 38.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.5 111.143 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.54 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.4 110.932 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.844 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -131.93 14.67 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.04 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.73 30.05 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.1 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.21 178.94 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 45.45 112.476 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.77 -147.17 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 63.24 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 165.73 32.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.354 . . . . 70.42 110.91 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.876 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.801 0.334 . . . . 73.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -62.94 -51.84 65.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 54.52 110.822 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -49.48 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.01 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.9 m -66.35 -44.98 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 62.43 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.36 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 42.1 111.09 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 13' ' ' LEU . 73.4 t -69.75 -48.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.11 111.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 m -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.34 110.923 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.47 -25.78 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.962 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.85 38.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 71.34 111.101 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -93.63 17.72 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 64.11 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.94 14.61 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.845 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mttt 51.73 30.09 6.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.09 -179.69 53.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 65.41 112.508 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.55 -151.47 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 22.34 112.494 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.73 160.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 73.34 110.864 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.3 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 73.22 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -57.54 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 60.42 110.868 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.9 -45.03 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 51.35 111.104 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -66.93 -47.51 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 -48.36 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 55.33 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 13' ' ' LEU . 61.7 t -69.77 -48.23 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 64.04 111.128 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -59.16 -21.84 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.43 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 64.34 110.917 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.78 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.073 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.58 17.68 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.1 110.91 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 63.55 52.5 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -131.95 14.65 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.86 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.2 -177.39 53.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 61.21 112.497 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.23 -151.36 5.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 71.03 112.507 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.84 161.99 36.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 75.44 110.891 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.756 0.313 . . . . 74.13 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -65.83 -57.46 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.14 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 63.24 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.5 m -68.64 -46.76 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 60.51 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 13' ' ' LEU . 47.1 t -69.66 -48.29 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 54.03 111.152 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -21.86 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.38 -25.81 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.91 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.52 38.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.66 17.61 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 63.53 52.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 61.32 110.827 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -132.07 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.82 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.01 6.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 75.05 110.909 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 179.39 52.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 70.33 112.462 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.13 -152.27 5.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 70.13 112.498 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 164.58 35.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 62.53 110.867 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.1 110.925 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 62.2 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -64.27 -56.95 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 52.24 110.848 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.39 49.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.21 111.1 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.98 -45.89 91.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 34.33 110.875 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.56 -48.35 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 70.52 111.063 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 69.5 t -69.77 -48.31 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 44.52 111.087 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -59.07 -21.88 59.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.885 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 54.44 110.845 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.84 68.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.913 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.62 38.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 60.21 111.113 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.6 17.6 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.917 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 63.53 52.5 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 71.13 110.873 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.04 14.72 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.52 110.864 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm 51.75 30.05 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.905 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.29 178.29 52.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 73.55 112.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.67 -150.34 5.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 52.44 112.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.71 169.17 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 74.1 110.878 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.747 0.308 . . . . 65.31 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -56.96 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -44.87 64.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 63.25 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.42 -47.23 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.852 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.53 -48.49 62.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 74.13 111.081 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 47.5 t -69.73 -48.26 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 60.23 111.151 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -59.03 -21.9 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.4 m -86.71 -50.93 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.884 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.41 -25.87 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.892 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.58 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 61.2 111.111 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.59 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.15 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 63.56 52.49 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 54.13 110.833 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -132.02 14.63 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.83 29.97 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.885 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 -178.77 53.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 72.24 112.457 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.65 -150.47 5.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 72.21 112.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.87 164.08 33.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 72.54 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.32 110.907 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 64.02 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -68.32 -57.55 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 73.45 110.85 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.97 -48.0 64.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 70.03 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -65.44 -46.69 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.47 62.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 73.13 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.4 t -69.7 -48.26 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.133 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.877 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.3 m -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.918 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.44 -25.78 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 64.12 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.57 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 71.43 111.131 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -93.49 17.54 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.957 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 63.56 52.43 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -131.99 14.69 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.876 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.75 29.98 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -178.84 53.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 52.42 112.467 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.64 -151.29 5.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 34.04 112.501 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.9 159.23 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 75.21 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.2 110.878 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 64.53 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -66.37 -57.92 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 54.43 110.867 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.87 -44.77 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 62.14 111.064 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.33 -46.43 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.882 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.47 -48.51 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 61.25 111.076 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.597 ' HA ' HD23 ' A' ' 13' ' ' LEU . 78.8 t -69.71 -48.22 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 54.1 111.158 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -59.12 -21.86 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.31 110.847 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.76 -50.94 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 42.5 110.922 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.63 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.102 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.63 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.924 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 63.48 52.54 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 65.32 110.86 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.06 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.929 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -175.88 53.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.503 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.34 -151.61 6.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 60.3 112.524 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.27 169.7 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 73.02 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 54.41 110.872 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.341 . . . . 75.12 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -57.5 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 52.55 110.888 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.01 -45.86 64.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 61.44 111.132 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.7 m -67.4 -46.23 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.52 62.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 13' ' ' LEU . 42.6 t -69.75 -48.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.104 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -59.09 -21.84 59.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.42 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.76 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.48 -25.75 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.906 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.56 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.12 111.107 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.58 17.6 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.9 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.51 52.48 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -132.05 14.73 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 53.31 110.832 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? 51.69 30.09 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 54.44 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 -175.59 53.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 74.0 112.497 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.22 -151.55 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 52.32 112.526 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.47 164.83 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 64.4 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 64.43 110.851 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m170 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.751 0.31 . . . . 64.4 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -65.2 -56.44 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 60.03 110.868 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.72 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.01 111.105 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.06 -45.46 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 54.33 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 55.11 111.092 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 58.4 t -69.63 -48.3 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 73.04 111.104 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -59.13 -21.85 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 70.34 110.814 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 m -86.78 -50.84 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 61.43 110.847 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.84 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.91 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.56 38.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.42 111.138 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.56 17.54 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.955 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 63.57 52.46 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 60.51 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 14.68 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.886 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.01 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.1 52.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 42.3 112.493 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.72 -152.56 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 63.42 112.501 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 161.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 75.12 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.836 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 m170 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.823 0.344 . . . . 72.51 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -71.19 -50.87 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 63.21 110.872 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.4 -48.66 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.41 111.177 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -66.81 -46.01 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.921 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.48 -48.5 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.12 111.098 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 85.2 t -69.73 -48.27 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 73.05 111.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -59.09 -21.88 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.71 -50.92 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.888 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.76 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.933 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.52 38.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 73.41 111.111 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.57 17.61 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.93 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 63.46 52.51 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.03 14.69 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.55 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.79 30.0 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.862 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.32 178.31 52.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 62.43 112.47 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.05 -147.72 4.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 73.2 112.454 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 161.42 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 73.31 110.883 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 63.51 110.831 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -55.15 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 55.44 110.825 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.03 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.3 111.085 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.7 m -68.91 -47.1 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.21 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.44 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.12 111.117 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.597 ' HA ' HD23 ' A' ' 13' ' ' LEU . 43.7 t -69.75 -48.22 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.34 111.152 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -21.88 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 65.41 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.94 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.871 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.78 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.892 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.6 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 61.14 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.51 17.53 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.9 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 63.48 52.56 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.841 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -132.02 14.75 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.899 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 51.71 30.03 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 177.35 51.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 32.2 112.51 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.59 -147.49 4.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 52.31 112.495 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 162.89 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 72.43 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 61.2 110.93 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.913 0.387 . . . . 72.21 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -170.98 114.2 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 64.31 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.62 93.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.41 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.58 128.44 34.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.868 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -62.04 -33.34 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.827 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -63.67 -54.95 27.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 55.11 110.843 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.67 60.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 62.45 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -64.13 -46.7 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.49 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.081 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 60.9 t -69.73 -48.21 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 72.53 111.108 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -59.1 -21.91 59.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 m -86.69 -50.82 6.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.53 -25.81 68.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.91 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.55 38.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 60.44 111.112 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.58 17.57 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 64.5 110.928 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.5 52.53 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.855 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.01 14.68 4.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.912 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.75 30.07 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 61.31 110.857 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.28 179.14 52.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 43.22 112.52 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.54 -146.85 4.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 72.23 112.443 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 161.22 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 64.23 110.923 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 141.23 31.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 72.13 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -132.08 92.03 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.899 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.92 33.65 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 72.01 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.18 -33.51 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 53.41 112.48 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.2 109.23 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 62.12 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.97 98.79 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -89.55 135.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.8 m -114.69 121.26 42.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 70.03 110.878 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 74.33 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -153.46 26.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.826 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.898 ' CB ' ' SG ' ' A' ' 22' ' ' CYS . 6.7 t 54.88 87.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.32 101.03 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.11 110.873 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -70.52 -28.65 65.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -64.42 -58.32 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.841 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 54.13 111.096 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 76.3 m -63.52 -47.97 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.865 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.58 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.22 111.087 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.609 ' HA ' HD23 ' A' ' 13' ' ' LEU . 82.2 t -69.65 -48.27 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.151 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -59.08 -21.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 52.12 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.81 -50.84 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 63.54 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.5 -25.76 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.936 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.58 38.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 51.21 111.121 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.62 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.943 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 63.46 52.53 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.906 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.02 14.71 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.888 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 51.71 30.06 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 70.23 110.916 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.8 52.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 44.41 112.54 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.58 -151.19 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 60.41 112.488 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.79 161.73 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.21 110.857 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.898 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -82.45 135.27 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 54.04 110.871 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -117.42 85.58 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 70.15 110.885 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.15 39.88 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.32 -27.07 13.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 63.21 112.507 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -82.98 179.68 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 72.01 110.854 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.276 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -131.37 106.16 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 72.4 110.876 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -103.3 135.66 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.094 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -105.97 121.98 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.861 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.825 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.856 0.36 . . . . 74.23 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.87 129.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.21 110.872 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.6 99.85 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 44.24 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.84 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 63.4 110.865 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -71.36 -26.69 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 62.15 110.848 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -66.7 -55.27 15.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 65.43 110.9 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -50.5 60.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 45.12 111.116 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.01 -47.0 82.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 72.33 110.833 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.48 62.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.111 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 13' ' ' LEU . 58.7 t -69.75 -48.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.085 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.03 -21.95 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 53.53 110.871 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 m -86.66 -50.9 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 61.01 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.46 -25.76 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.54 110.939 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.64 38.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 44.32 111.084 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.64 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 63.5 52.47 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 53.24 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.02 14.76 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.919 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.83 52.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 64.33 112.488 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.69 -146.7 4.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 61.11 112.526 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 166.58 30.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 64.13 110.874 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -102.7 137.77 40.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.915 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -128.48 92.98 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 72.42 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 52.66 33.11 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -34.45 5.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 21.34 112.473 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.56 109.99 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.911 0.386 . . . . 63.12 110.856 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.6 t -80.31 99.14 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 55.33 110.81 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -88.92 137.09 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.32 111.156 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.4 m -115.9 121.41 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.856 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.371 . . . . 74.44 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -158.17 122.19 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.879 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 40.3 t -70.19 93.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 72.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.62 140.14 35.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -61.52 -26.7 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 63.41 110.799 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -71.24 -55.55 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.833 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.29 -46.83 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 71.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.368 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 95.9 m -67.42 -46.45 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 53.24 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.45 -48.5 62.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 61.42 111.091 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.6 ' HA ' HD23 ' A' ' 13' ' ' LEU . 64.4 t -69.75 -48.27 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.53 111.137 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -21.84 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.79 -50.89 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 63.22 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.5 -25.75 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.912 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.52 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.5 111.091 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.61 17.62 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.867 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 63.54 52.45 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 62.42 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.02 14.73 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 62.34 110.892 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 51.73 30.02 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.916 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.38 175.49 50.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.03 112.448 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.41 -150.37 5.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 72.13 112.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.47 161.68 41.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 73.33 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.852 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -95.33 146.76 24.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.872 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -138.85 95.22 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 71.51 110.876 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 52.07 32.35 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 75.12 110.933 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.08 -35.43 4.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 62.12 112.506 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.08 110.76 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 63.41 110.848 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.368 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -80.07 98.98 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 62.24 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.5 t -86.3 142.98 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.111 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.7 m -122.68 122.25 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 72.24 110.86 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.905 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.836 0.35 . . . . 75.31 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.69 120.52 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 73.01 110.838 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 49.8 t -66.88 94.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 63.22 110.919 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.62 116.05 14.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.901 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -57.1 -28.37 62.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -56.37 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 43.42 110.854 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.51 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.22 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 13.5 t -64.47 -46.8 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 44.42 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.46 62.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 72.55 111.073 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 13' ' ' LEU . 60.3 t -69.75 -48.28 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.081 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -59.07 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.895 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.0 m -86.73 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 73.25 110.875 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.82 68.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.919 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.11 -23.55 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.31 111.12 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.53 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.936 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 63.46 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.88 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -132.01 14.74 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.1 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.71 30.04 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.04 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 177.93 52.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 62.41 112.494 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.4 -150.32 5.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 71.41 112.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.82 159.54 32.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 74.31 110.847 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -101.37 94.1 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 62.4 110.843 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 101.43 13.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 43.33 110.857 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 m120 53.36 32.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.861 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.27 -32.17 7.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 63.32 112.456 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.18 114.64 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 62.43 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.4 t -80.08 91.66 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 74.22 110.907 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.26 131.5 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 65.51 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.66 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 74.41 110.874 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.863 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.863 0.363 . . . . 72.03 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -149.65 125.68 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.43 110.851 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.328 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 53.6 t -64.51 95.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 75.02 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.74 107.06 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 73.21 110.848 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -52.34 -30.04 26.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -55.56 22.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 53.1 110.89 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.06 -51.27 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.3 111.102 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.323 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 75.4 m -63.06 -46.12 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.12 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.53 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 54.14 111.057 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.8 t -69.67 -48.29 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.11 111.138 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -59.08 -21.88 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.66 -50.96 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 44.22 110.889 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.74 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.25 110.961 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.58 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 65.14 111.066 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.55 17.58 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 71.21 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 63.51 52.52 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.837 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -132.04 14.74 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 51.73 30.06 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 178.94 52.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 43.2 112.462 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.41 -152.32 5.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 44.31 112.465 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 163.55 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 71.41 110.864 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.328 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -103.36 104.79 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.847 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 99.11 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.908 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 55.89 28.39 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 72.01 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -29.08 10.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 63.02 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -74.01 117.73 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 75.33 110.837 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.323 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -80.19 95.52 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 43.32 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.7 t -95.58 137.51 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.51 111.15 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.9 m -108.8 122.34 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.52 110.935 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 74.24 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -145.58 27.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.827 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.438 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 14.5 t 53.37 71.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 50.44 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.11 96.85 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 70.43 110.913 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -58.68 -29.41 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.838 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -66.09 -58.66 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.85 -42.84 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.083 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.05 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 5.2 t -69.01 -47.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.848 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.55 62.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.31 111.108 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 13' ' ' LEU . 51.3 t -69.64 -48.36 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.118 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -58.99 -21.88 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.905 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.44 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 75.14 110.894 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -23.53 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 44.25 111.098 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.6 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.921 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 63.44 52.53 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.883 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -132.06 14.75 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 72.01 110.887 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt 51.81 30.02 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.859 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.31 -179.66 53.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 53.14 112.513 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.14 -151.05 5.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 71.35 112.476 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.74 163.37 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 72.11 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.438 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -87.86 130.68 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 52.43 110.86 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.02 87.16 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 74.34 110.918 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 52.02 47.91 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 64.13 110.928 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.16 -26.01 26.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 60.22 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -82.0 175.13 10.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 53.11 110.861 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.05 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.1 t -130.69 108.06 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.18 132.66 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 64.33 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.4 m -102.18 120.21 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 64.34 110.88 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.895 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.844 0.354 . . . . 74.12 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m 57.56 41.53 25.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.844 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t 57.05 61.06 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 60.52 110.884 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.36 106.05 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.878 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.16 -34.79 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 10' ' ' VAL . 17.1 m -65.3 -55.33 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 61.21 110.866 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.96 -50.71 60.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 33.55 111.097 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.95 -44.73 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 62.24 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.45 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.12 111.108 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' A' ' 13' ' ' LEU . 39.1 t -69.68 -48.31 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 74.41 111.125 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -59.08 -21.86 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 m -86.66 -50.91 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.919 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 42.42 110.881 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.09 -23.55 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 32.51 111.083 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -93.58 17.6 11.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.5 52.48 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.06 14.77 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.873 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.03 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.3 175.89 50.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 64.03 112.517 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.3 -152.4 5.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 70.04 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 167.59 29.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 73.51 110.9 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.01 139.38 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 55.32 110.887 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -118.65 82.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.913 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 52.15 41.72 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 70.43 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.2 -25.19 18.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 62.52 112.468 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.14 168.3 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 65.12 110.856 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 40.7 t -120.28 103.11 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.876 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.47 135.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 60.34 111.11 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.54 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 54.43 110.843 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.906 0.384 . . . . 62.34 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.62 135.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 62.32 110.881 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 21.4 p -102.88 27.8 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.907 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.69 96.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.902 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -54.57 -27.45 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.825 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -52.41 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 44.33 110.892 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -50.09 62.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -66.22 -44.58 83.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.883 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.59 -48.4 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.23 111.104 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 13' ' ' LEU . 57.4 t -69.73 -48.19 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.12 111.146 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -59.19 -21.85 60.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 m -86.74 -50.82 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.52 -25.8 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.958 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.68 38.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.5 111.143 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.54 17.59 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.4 110.932 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.844 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -131.93 14.67 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.04 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.73 30.05 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.1 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.21 178.94 52.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 45.45 112.476 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.77 -147.17 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 63.24 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 165.73 32.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.354 . . . . 70.42 110.91 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.194 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 m -96.02 148.01 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -137.76 97.42 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.889 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 52.16 47.84 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.895 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.96 -28.33 10.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 25.43 112.512 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.06 161.65 29.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 62.35 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.2 t -121.83 99.52 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.918 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.62 137.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.1 111.101 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 m -115.39 122.21 45.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 65.11 110.873 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.42 110.896 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.8 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.868 0.366 . . . . 64.55 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -164.61 123.21 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 64.24 110.86 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 49.4 t -59.89 99.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 75.12 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.93 108.22 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.854 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -54.99 -35.74 64.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 73.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -62.94 -51.84 65.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 54.52 110.822 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -49.48 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.01 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 95.9 m -66.35 -44.98 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 62.43 110.854 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.36 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 42.1 111.09 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 13' ' ' LEU . 73.4 t -69.75 -48.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.11 111.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 m -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.34 110.923 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.47 -25.78 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.962 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.85 38.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 71.34 111.101 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -93.63 17.72 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 63.54 52.51 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 64.11 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.94 14.61 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.845 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mttt 51.73 30.09 6.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.09 -179.69 53.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 65.41 112.508 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.55 -151.47 5.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 22.34 112.494 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.73 160.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 73.34 110.864 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -92.5 138.04 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.3 110.902 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -131.32 91.61 3.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 56.26 28.69 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 63.22 110.89 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.41 -28.55 9.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 73.44 112.498 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -81.83 113.46 19.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 63.23 110.846 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -80.73 100.28 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 42.42 110.921 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.5 t -89.58 132.91 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 54.34 111.15 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.9 m -107.57 120.97 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 51.11 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 73.02 110.89 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.883 0.373 . . . . 72.01 110.865 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -159.16 38.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.33 110.861 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -80.03 59.91 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 64.14 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -76.04 95.93 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.5 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -60.66 -32.34 71.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.847 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -57.54 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 60.42 110.868 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.9 -45.03 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 51.35 111.104 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.384 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 63.6 m -66.93 -47.51 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 -48.36 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 55.33 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 13' ' ' LEU . 61.7 t -69.77 -48.23 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 64.04 111.128 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -59.16 -21.84 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.43 -25.8 68.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 64.34 110.917 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.78 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.073 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.58 17.68 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.1 110.91 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 63.55 52.5 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -131.95 14.65 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.86 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.75 30.03 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.2 -177.39 53.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 61.21 112.497 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.23 -151.36 5.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 71.03 112.507 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.84 161.99 36.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 75.44 110.891 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.42 142.7 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.872 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.23 86.65 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.909 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m120 52.42 39.03 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 72.33 110.874 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 -24.05 25.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 70.34 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -83.01 -179.57 7.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 75.1 110.894 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.384 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -133.38 104.89 6.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 64.25 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -102.81 134.58 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.24 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.7 m -102.92 120.58 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.845 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 74.13 110.84 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.889 0.376 . . . . 65.14 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -157.88 123.01 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 61.24 110.869 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.58 98.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 64.52 110.882 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -81.06 91.05 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 73.24 110.838 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -53.97 -28.29 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.836 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -65.83 -57.46 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.14 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 63.24 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.102 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 94.5 m -68.64 -46.76 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.869 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 60.51 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 13' ' ' LEU . 47.1 t -69.66 -48.29 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 54.03 111.152 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -21.86 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -86.72 -50.97 6.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.38 -25.81 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.91 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.52 38.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.128 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -93.66 17.61 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 63.53 52.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 61.32 110.827 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -132.07 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.82 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.77 30.01 6.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 75.05 110.909 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 179.39 52.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 70.33 112.462 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.13 -152.27 5.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 70.13 112.498 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 164.58 35.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 62.53 110.867 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.21 139.5 31.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.1 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -128.52 96.24 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 52.12 36.93 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 51.35 110.855 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -28.24 15.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 55.25 112.5 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.19 177.33 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 75.44 110.824 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.102 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -129.83 104.77 7.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.869 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.65 135.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 75.23 111.145 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.37 121.71 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 72.51 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.25 110.891 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.891 0.377 . . . . 72.53 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.85 129.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 62.52 110.833 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 54.0 t -62.22 96.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 61.21 110.924 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.81 125.36 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 50.35 110.867 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -56.91 -29.03 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 62.2 110.908 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 m -64.27 -56.95 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 52.24 110.848 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.39 49.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.21 111.1 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.98 -45.89 91.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 34.33 110.875 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.56 -48.35 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 70.52 111.063 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 69.5 t -69.77 -48.31 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 44.52 111.087 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -59.07 -21.88 59.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.885 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.6 m -86.75 -50.91 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 54.44 110.845 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.42 -25.84 68.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.913 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.05 -23.62 38.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 60.21 111.113 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.6 17.6 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.917 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 63.53 52.5 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 71.13 110.873 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.04 14.72 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.52 110.864 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm 51.75 30.05 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.905 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.29 178.29 52.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 73.55 112.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.67 -150.34 5.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 52.44 112.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.71 169.17 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 74.1 110.878 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER -95.69 150.97 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.868 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 96.39 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 52.18 40.83 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 71.54 110.874 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.71 -31.94 8.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 75.31 112.499 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.62 169.6 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 74.13 110.85 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -127.9 98.01 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.874 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -91.39 137.56 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 61.44 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 m -114.82 120.93 41.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 54.14 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 72.42 110.858 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 73.11 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 27.34 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 60.35 110.908 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 3.9 t 53.33 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.35 110.865 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.83 98.05 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.861 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -59.35 -27.47 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 65.31 110.875 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -56.96 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.05 -44.87 64.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 63.25 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.339 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 85.9 m -67.42 -47.23 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.852 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.53 -48.49 62.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 74.13 111.081 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 47.5 t -69.73 -48.26 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 60.23 111.151 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -59.03 -21.9 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.4 m -86.71 -50.93 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.884 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.41 -25.87 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.892 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.58 38.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 61.2 111.111 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.56 17.59 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.15 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 63.56 52.49 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 54.13 110.833 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -132.02 14.63 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.83 29.97 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.885 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.34 -178.77 53.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 72.24 112.457 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.65 -150.47 5.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 72.21 112.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.87 164.08 33.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 72.54 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -80.34 147.79 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.32 110.907 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -131.5 84.56 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 64.32 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 52.52 42.96 31.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.892 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -27.01 20.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 72.44 112.476 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.23 176.02 9.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 73.34 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.339 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.4 m -127.54 109.99 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.893 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.03 139.77 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 65.34 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.9 m -110.5 123.46 49.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 54.3 110.862 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.87 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.867 0.365 . . . . 73.32 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.69 124.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 42.55 110.888 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 10.9 t -63.61 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 50.15 110.899 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.36 112.97 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.845 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -60.68 -28.18 68.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 64.02 110.832 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -68.32 -57.55 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 73.45 110.85 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.97 -48.0 64.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 70.03 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -65.44 -46.69 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.47 62.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 73.13 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.4 t -69.7 -48.26 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.133 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.877 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.3 m -86.69 -50.93 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.918 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.44 -25.78 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 64.12 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.57 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 71.43 111.131 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -93.49 17.54 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.957 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 63.56 52.43 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -131.99 14.69 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.876 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 51.75 29.98 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -178.84 53.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 52.42 112.467 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.64 -151.29 5.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 34.04 112.501 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.9 159.23 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 75.21 110.87 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 1.2 m -91.61 133.91 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.2 110.878 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -129.96 93.23 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 53.45 110.88 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 52.51 36.38 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.5 -30.69 9.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 71.22 112.477 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.73 109.15 16.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 72.21 110.906 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 3.9 m -80.36 100.38 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.873 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.3 t -86.14 132.76 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.145 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.45 120.58 42.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 75.11 110.884 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.882 0.373 . . . . 75.34 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.96 110.75 2.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 33.35 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.917 ' CB ' ' SG ' ' A' ' 22' ' ' CYS . 24.4 t -64.62 93.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 65.42 110.881 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -80.48 101.16 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -59.3 -26.42 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 64.53 110.854 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -66.37 -57.92 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 54.43 110.867 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.87 -44.77 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 62.14 111.064 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 4.5 t -68.33 -46.43 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.882 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.47 -48.51 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 61.25 111.076 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.597 ' HA ' HD23 ' A' ' 13' ' ' LEU . 78.8 t -69.71 -48.22 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 54.1 111.158 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -59.12 -21.86 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.31 110.847 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -86.76 -50.94 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 42.5 110.922 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.02 -23.63 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.102 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.57 17.63 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.924 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 63.48 52.54 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 65.32 110.86 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.06 14.7 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.929 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 -175.88 53.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.503 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.34 -151.61 6.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 60.3 112.524 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.27 169.7 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 73.02 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.917 ' SG ' ' CB ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -85.71 151.64 23.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 54.41 110.872 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.39 90.42 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 64.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.6 m120 52.05 35.81 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.907 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -21.87 29.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 75.45 112.51 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -85.24 174.52 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 64.41 110.88 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.7 t -123.78 110.9 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 65.51 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.22 138.21 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 60.41 111.098 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.0 m -108.74 122.69 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 72.02 110.851 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 72.42 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.807 0.337 . . . . 71.01 110.925 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -99.0 31.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 51.33 110.85 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t 52.55 87.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 63.01 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.31 99.9 12.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.843 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -63.41 -30.02 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.825 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -57.5 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 52.55 110.888 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.01 -45.86 64.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 61.44 111.132 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.119 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 87.7 m -67.4 -46.23 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.897 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.49 -48.52 62.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 13' ' ' LEU . 42.6 t -69.75 -48.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.104 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -59.09 -21.84 59.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.42 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.76 -50.88 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.48 -25.75 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.906 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.56 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.12 111.107 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -93.58 17.6 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.9 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.51 52.48 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -132.05 14.73 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 53.31 110.832 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? 51.69 30.09 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 54.44 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 -175.59 53.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 74.0 112.497 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.22 -151.55 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 52.32 112.526 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.47 164.83 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 64.4 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 142.48 32.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 64.43 110.851 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -127.61 89.02 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.894 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 52.11 40.95 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.51 110.879 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.7 -27.35 19.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 71.34 112.434 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -82.17 178.4 8.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 72.54 110.873 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.119 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -129.34 108.97 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.876 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.0 t -105.14 137.51 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 71.44 111.115 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.9 m -105.45 121.94 44.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.888 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.888 0.375 . . . . 75.44 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.68 128.21 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 75.4 110.873 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 40.4 t -57.68 99.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 64.53 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.8 119.22 21.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 53.34 110.849 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -58.51 -27.41 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.4 110.851 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -65.2 -56.44 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 60.03 110.868 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.72 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.01 111.105 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.264 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 8.9 t -64.06 -45.46 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 54.33 110.912 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.52 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 55.11 111.092 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 58.4 t -69.63 -48.3 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 73.04 111.104 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -59.13 -21.85 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 70.34 110.814 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 m -86.78 -50.84 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 61.43 110.847 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.84 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.91 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.03 -23.56 38.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.42 111.138 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.56 17.54 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.955 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 63.57 52.46 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 60.51 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.03 14.68 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.886 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.75 30.01 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.1 52.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 42.3 112.493 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.72 -152.56 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 63.42 112.501 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.43 161.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 75.12 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.221 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 m -82.29 150.81 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.836 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -138.06 96.17 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.47 42.22 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 71.32 110.924 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.49 -30.38 10.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 52.15 112.47 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -76.47 175.62 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 72.33 110.873 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.264 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 40.4 t -130.83 99.72 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 63.53 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.59 134.86 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.174 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.01 119.56 39.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.88 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.851 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 74.53 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -117.12 40.24 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.874 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t 53.62 87.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.842 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 129.46 41.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.1 110.867 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -74.98 -27.69 60.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.845 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -71.19 -50.87 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 63.21 110.872 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.4 -48.66 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.41 111.177 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 t -66.81 -46.01 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.921 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.48 -48.5 62.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.12 111.098 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 13' ' ' LEU . 85.2 t -69.73 -48.27 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 73.05 111.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -59.09 -21.88 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -86.71 -50.92 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.888 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.76 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.933 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.52 38.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 73.41 111.111 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -93.57 17.61 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.93 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 63.46 52.51 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.03 14.69 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.55 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.79 30.0 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.862 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.32 178.31 52.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 62.43 112.47 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.05 -147.72 4.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 73.2 112.454 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 161.42 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 73.31 110.883 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.04 144.49 27.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 90.7 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.875 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.07 39.62 26.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 52.42 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 -32.04 7.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 70.42 112.477 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -75.52 109.38 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 70.15 110.835 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.07 100.8 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.862 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.63 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 72.51 111.134 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.9 m -126.64 122.31 34.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.851 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.87 0.367 . . . . 74.55 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -164.14 125.02 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.13 110.867 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 50.6 t -77.88 84.72 4.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.902 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.05 127.06 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 60.51 110.867 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.49 -32.29 57.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.51 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -55.15 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 55.44 110.825 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.03 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.3 111.085 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 90.7 m -68.91 -47.1 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.21 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.52 -48.44 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.12 111.117 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.597 ' HA ' HD23 ' A' ' 13' ' ' LEU . 43.7 t -69.75 -48.22 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.34 111.152 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -21.88 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 65.41 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -86.72 -50.94 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.871 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.45 -25.78 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.892 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -23.6 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 61.14 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.51 17.53 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.9 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 63.48 52.56 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.841 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -132.02 14.75 4.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.899 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 51.71 30.03 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 177.35 51.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 32.2 112.51 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.59 -147.49 4.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 52.31 112.495 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 162.89 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 72.43 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -96.89 141.28 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 61.2 110.93 179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.31 94.54 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 52.8 31.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.32 -34.63 5.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 50.21 112.458 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.14 110.98 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 73.23 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -80.86 99.28 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.913 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.73 143.91 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.14 111.164 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.53 123.21 41.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.888 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.851 -179.986 . . . . . . . . 1 1 . 1 stop_ save_